ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate

C32H35ClN4O4 — CID 91599392

IUPACethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)C(c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCCN(C)C)C(=O)c1ccccc1C
InChIInChI=1S/C32H35ClN4O4/c1-5-41-32(40)28(36(19-11-18-35(3)4)30(38)25-15-10-9-12-22(25)2)29-34-27-20-24(33)16-17-26(27)31(39)37(29)21-23-13-7-6-8-14-23/h6-10,12-17,20,28H,5,11,18-19,21H2,1-4H3
InChIKeyICJZQGBPGMHRKA-UHFFFAOYSA-N
MW575.11 g/mol
LogP5.10
Rot. Bonds11

About ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate

ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate (PubChem CID 91599392) has the molecular formula C32H35ClN4O4 and a molecular weight of 575.11 g/mol. Its IUPAC name is ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate
PubChem CID91599392
Molecular FormulaC32H35ClN4O4
Molecular Weight575.11 g/mol
Exact Mass574.23
IUPAC Nameethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)C(c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCCN(C)C)C(=O)c1ccccc1C
InChIInChI=1S/C32H35ClN4O4/c1-5-41-32(40)28(36(19-11-18-35(3)4)30(38)25-15-10-9-12-22(25)2)29-34-27-20-24(33)16-17-26(27)31(39)37(29)21-23-13-7-6-8-14-23/h6-10,12-17,20,28H,5,11,18-19,21H2,1-4H3
InChIKeyICJZQGBPGMHRKA-UHFFFAOYSA-N
XLogP5.10
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.11
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[ethyl(propyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 143056318
N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-[(3-phenylphenyl)methyl]quinazolin-2-yl]-2-(dimethylamino)-2-oxoethyl]-4-methylbenzamide
CID 11227393
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 6851740
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594
2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-bromo-N,N-dimethylacetamide;ethane
CID 143056327
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 71508543
N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 10229801
2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
CID 22238798
tert-butyl N-[3-[[1-[7-chloro-3-[(3-methylphenyl)methyl]-4-oxoquinazolin-2-yl]-2-(dimethylamino)-2-oxoethyl]-(4-methylbenzoyl)amino]propyl]carbamate
CID 58378181
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
CID 42713483
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide
CID 42714905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate (CID 91599392) is ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate is CCOC(=O)C(c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCCN(C)C)C(=O)c1ccccc1C.
What is the InChIKey of ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate?
The InChIKey is ICJZQGBPGMHRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN4O4/c1-5-41-32(40)28(36(19-11-18-35(3)4)30(38)25-15-10-9-12-22(25)2)29-34-27-20-24(33)16-17-26(27)31(39)37(29)21-23-13-7-6-8-14-23/h6-10,12-17,20,28H,5,11,18-19,21H2,1-4H3.
What are the key properties of ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate?
ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate has a molecular weight of 575.11 g/mol, XLogP of 5.10, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-[3-(dimethylamino)propyl-(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 91599392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).