9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide

C48H59ClN8O5 — CID 171638802

IUPAC9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3.CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCc5ccccc5)CC4)cnc3c2)CC1
InChIInChI=1S/C31H40N6O4.C17H19ClN2O/c1-34-17-19-35(20-18-34)14-11-28(38)33-25-8-9-26-27(21-25)32-23-37(30(26)40)22-31(41)12-15-36(16-13-31)29(39)10-7-24-5-3-2-4-6-24;1-2-9-19-17(21)11-7-8-13-15(10-11)20-14-6-4-3-5-12(14)16(13)18/h2-6,8-9,21,23,41H,7,10-20,22H2,1H3,(H,33,38);7-8,10H,2-6,9H2,1H3,(H,19,21)
InChIKeyOYCOMEDGGDYPHR-UHFFFAOYSA-N
MW863.50 g/mol
LogP5.87
Rot. Bonds12

About 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide

9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 171638802) has the molecular formula C48H59ClN8O5 and a molecular weight of 863.50 g/mol. Its IUPAC name is 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID171638802
Molecular FormulaC48H59ClN8O5
Molecular Weight863.50 g/mol
Exact Mass862.43
IUPAC Name9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3.CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCc5ccccc5)CC4)cnc3c2)CC1
InChIInChI=1S/C31H40N6O4.C17H19ClN2O/c1-34-17-19-35(20-18-34)14-11-28(38)33-25-8-9-26-27(21-25)32-23-37(30(26)40)22-31(41)12-15-36(16-13-31)29(39)10-7-24-5-3-2-4-6-24;1-2-9-19-17(21)11-7-8-13-15(10-11)20-14-6-4-3-5-12(14)16(13)18/h2-6,8-9,21,23,41H,7,10-20,22H2,1H3,(H,33,38);7-8,10H,2-6,9H2,1H3,(H,19,21)
InChIKeyOYCOMEDGGDYPHR-UHFFFAOYSA-N
XLogP5.87
TPSA153.00 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.50
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide with MolForge

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Related Compounds

9-chloro-N-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-[4-hydroxy-4-[[7-(3-morpholin-4-ylpropanoylamino)-4-oxoquinazolin-3-yl]methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 162478027
9-chloro-N-[2-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 138513091
ethane;N-[3-[[4-hydroxy-1-(4-methyl-3-phenylpentanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 142552025
9-chloro-N-[5-[4-hydroxy-4-[[7-[[2-[4-[3-[5-(2-methyl-5-oxopyrrolidin-3-yl)-4-oxopentoxy]propanoyl]piperazin-1-yl]acetyl]amino]-4-oxoquinazolin-3-yl]methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 163571172
tert-butyl N-[3-[4-hydroxy-4-[[7-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-oxoquinazolin-3-yl]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 162478044
N-[(4S)-4-benzyl-5-[4-hydroxy-4-[[7-[[2-[4-[3-[2-[2-[2-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]acetyl]amino]-4-oxoquinazolin-3-yl]methyl]piperidin-1-yl]-5-oxopentyl]-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 162478029
N-[3-[[4-hydroxy-1-[4-(2-nitrophenyl)benzoyl]piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 166488509
2-[2-(2-aminoethoxy)ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide
CID 138513041
9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 166488627
2-benzyl-1-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidin-1-yl]-7-(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)heptane-1,7-dione
CID 158510839
N-[3-[[4-hydroxy-1-[4-[2-(prop-2-enoylamino)phenyl]benzoyl]piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 166488498
2-[2-[2-(aminodiazenyl)ethoxy]ethoxy]-N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide
CID 155263344

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide (CID 171638802) is 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide is CCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3.CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCc5ccccc5)CC4)cnc3c2)CC1.
What is the InChIKey of 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is OYCOMEDGGDYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O4.C17H19ClN2O/c1-34-17-19-35(20-18-34)14-11-28(38)33-25-8-9-26-27(21-25)32-23-37(30(26)40)22-31(41)12-15-36(16-13-31)29(39)10-7-24-5-3-2-4-6-24;1-2-9-19-17(21)11-7-8-13-15(10-11)20-14-6-4-3-5-12(14)16(13)18/h2-6,8-9,21,23,41H,7,10-20,22H2,1H3,(H,33,38);7-8,10H,2-6,9H2,1H3,(H,19,21).
What are the key properties of 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide?
9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 863.50 g/mol, XLogP of 5.87, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-propyl-5,6,7,8-tetrahydroacridine-3-carboxamide;N-[3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 171638802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).