4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide

C28H26ClN5O — CID 72715594

IUPAC4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide
SMILESCn1c2ccccc2c2c(N3CCCN(C(=O)Nc4ccccc4)CC3)c3cc(Cl)ccc3nc21
InChIInChI=1S/C28H26ClN5O/c1-32-24-11-6-5-10-21(24)25-26(22-18-19(29)12-13-23(22)31-27(25)32)33-14-7-15-34(17-16-33)28(35)30-20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17H2,1H3,(H,30,35)
InChIKeyVPGOJEQFCWROCV-UHFFFAOYSA-N
MW484.00 g/mol
LogP6.28
Rot. Bonds2

About 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide

4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide (PubChem CID 72715594) has the molecular formula C28H26ClN5O and a molecular weight of 484.00 g/mol. Its IUPAC name is 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide
PubChem CID72715594
Molecular FormulaC28H26ClN5O
Molecular Weight484.00 g/mol
Exact Mass483.18
IUPAC Name4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide
SMILESCn1c2ccccc2c2c(N3CCCN(C(=O)Nc4ccccc4)CC3)c3cc(Cl)ccc3nc21
InChIInChI=1S/C28H26ClN5O/c1-32-24-11-6-5-10-21(24)25-26(22-18-19(29)12-13-23(22)31-27(25)32)33-14-7-15-34(17-16-33)28(35)30-20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17H2,1H3,(H,30,35)
InChIKeyVPGOJEQFCWROCV-UHFFFAOYSA-N
XLogP6.28
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-(3-acetylphenyl)-4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
CID 50805054
N-(3-chlorophenyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068173
4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 134130759
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 59993528
N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019972
N-(3-chlorophenyl)-4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-carboxamide
CID 46064612
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
CID 50805348
N-(3-chlorophenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001299
N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375501
4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
CID 3044286
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide (CID 72715594) is 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide is Cn1c2ccccc2c2c(N3CCCN(C(=O)Nc4ccccc4)CC3)c3cc(Cl)ccc3nc21.
What is the InChIKey of 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide?
The InChIKey is VPGOJEQFCWROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O/c1-32-24-11-6-5-10-21(24)25-26(22-18-19(29)12-13-23(22)31-27(25)32)33-14-7-15-34(17-16-33)28(35)30-20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17H2,1H3,(H,30,35).
What are the key properties of 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide?
4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)-N-phenyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 72715594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).