7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C70H60ClN9O8 — CID 158685036

IUPAC7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3c[nH]c4ccccc34)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccc(C)nc3)cc1)C(=O)N2.Cc1ccc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4NC3=O)cc2)cn1
InChIInChI=1S/C25H21N3O3.C23H21N3O3.C22H18ClN3O2/c1-31-17-10-11-22-19(13-17)24(29)28-23(25(30)27-22)12-15-6-8-16(9-7-15)20-14-26-21-5-3-2-4-18(20)21;1-14-3-6-17(13-24-14)16-7-4-15(5-8-16)11-21-23(28)25-20-10-9-18(29-2)12-19(20)22(27)26-21;1-13-2-5-16(12-24-13)15-6-3-14(4-7-15)10-20-22(28)25-19-9-8-17(23)11-18(19)21(27)26-20/h2-11,13-14,23,26H,12H2,1H3,(H,27,30)(H,28,29);3-10,12-13,21H,11H2,1-2H3,(H,25,28)(H,26,27);2-9,11-12,20H,10H2,1H3,(H,25,28)(H,26,27)
InChIKeyIFPZPIDVLBRPDM-UHFFFAOYSA-N
MW1190.76 g/mol
LogP11.50
Rot. Bonds11

About 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 158685036) has the molecular formula C70H60ClN9O8 and a molecular weight of 1190.76 g/mol. Its IUPAC name is 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID158685036
Molecular FormulaC70H60ClN9O8
Molecular Weight1190.76 g/mol
Exact Mass1189.43
IUPAC Name7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3c[nH]c4ccccc34)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccc(C)nc3)cc1)C(=O)N2.Cc1ccc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4NC3=O)cc2)cn1
InChIInChI=1S/C25H21N3O3.C23H21N3O3.C22H18ClN3O2/c1-31-17-10-11-22-19(13-17)24(29)28-23(25(30)27-22)12-15-6-8-16(9-7-15)20-14-26-21-5-3-2-4-18(20)21;1-14-3-6-17(13-24-14)16-7-4-15(5-8-16)11-21-23(28)25-20-10-9-18(29-2)12-19(20)22(27)26-21;1-13-2-5-16(12-24-13)15-6-3-14(4-7-15)10-20-22(28)25-19-9-8-17(23)11-18(19)21(27)26-20/h2-11,13-14,23,26H,12H2,1H3,(H,27,30)(H,28,29);3-10,12-13,21H,11H2,1-2H3,(H,25,28)(H,26,27);2-9,11-12,20H,10H2,1H3,(H,25,28)(H,26,27)
InChIKeyIFPZPIDVLBRPDM-UHFFFAOYSA-N
XLogP11.50
TPSA234.63 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.76
LogP ≤ 511.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione with MolForge

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Related Compounds

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2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
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N-(2-(5-chloro-1H-indol-3-yl)ethyl)-3'-methoxybiphenyl-4-carboxamide
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N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 70104145
N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 70104146
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-[1-(2-methoxybenzoyl)piperidin-4-yl]propanamide
CID 70104516
N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-[1-(2-methoxybenzoyl)piperidin-4-yl]propanamide
CID 70104517
N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 70104557
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 70104562

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 158685036) is 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3c[nH]c4ccccc34)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccc(C)nc3)cc1)C(=O)N2.Cc1ccc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4NC3=O)cc2)cn1.
What is the InChIKey of 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is IFPZPIDVLBRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3.C23H21N3O3.C22H18ClN3O2/c1-31-17-10-11-22-19(13-17)24(29)28-23(25(30)27-22)12-15-6-8-16(9-7-15)20-14-26-21-5-3-2-4-18(20)21;1-14-3-6-17(13-24-14)16-7-4-15(5-8-16)11-21-23(28)25-20-10-9-18(29-2)12-19(20)22(27)26-21;1-13-2-5-16(12-24-13)15-6-3-14(4-7-15)10-20-22(28)25-19-9-8-17(23)11-18(19)21(27)26-20/h2-11,13-14,23,26H,12H2,1H3,(H,27,30)(H,28,29);3-10,12-13,21H,11H2,1-2H3,(H,25,28)(H,26,27);2-9,11-12,20H,10H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 1190.76 g/mol, XLogP of 11.50, 11 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 158685036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).