2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide

C24H29N5O3 — CID 56564495

IUPAC2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C24H29N5O3/c1-19-26-22-6-3-2-5-21(22)24(31)29(19)18-23(30)28(17-20-7-9-25-10-8-20)12-4-11-27-13-15-32-16-14-27/h2-3,5-10H,4,11-18H2,1H3
InChIKeyPLGNULRCVNPFLI-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.85
Rot. Bonds8

About 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide

2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 56564495) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID56564495
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C24H29N5O3/c1-19-26-22-6-3-2-5-21(22)24(31)29(19)18-23(30)28(17-20-7-9-25-10-8-20)12-4-11-27-13-15-32-16-14-27/h2-3,5-10H,4,11-18H2,1H3
InChIKeyPLGNULRCVNPFLI-UHFFFAOYSA-N
XLogP1.85
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 55436371
N-benzyl-N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17448524
N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide
CID 56564213
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564590
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 56564212
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 55436392
3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536604
3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide (CID 56564495) is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide is Cc1nc2ccccc2c(=O)n1CC(=O)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PLGNULRCVNPFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-19-26-22-6-3-2-5-21(22)24(31)29(19)18-23(30)28(17-20-7-9-25-10-8-20)12-4-11-27-13-15-32-16-14-27/h2-3,5-10H,4,11-18H2,1H3.
What are the key properties of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 56564495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).