1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide

C22H19N5O3S — CID 16611612

IUPAC1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide
SMILESCc1ccnc(-n2c(SCC(=O)NC(=O)c3cccn3C)nc3ccccc3c2=O)c1
InChIInChI=1S/C22H19N5O3S/c1-14-9-10-23-18(12-14)27-21(30)15-6-3-4-7-16(15)24-22(27)31-13-19(28)25-20(29)17-8-5-11-26(17)2/h3-12H,13H2,1-2H3,(H,25,28,29)
InChIKeyHYRFVTSBYFPFST-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.48
Rot. Bonds5

About 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide

1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide (PubChem CID 16611612) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide
PubChem CID16611612
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide
SMILESCc1ccnc(-n2c(SCC(=O)NC(=O)c3cccn3C)nc3ccccc3c2=O)c1
InChIInChI=1S/C22H19N5O3S/c1-14-9-10-23-18(12-14)27-21(30)15-6-3-4-7-16(15)24-22(27)31-13-19(28)25-20(29)17-8-5-11-26(17)2/h3-12H,13H2,1-2H3,(H,25,28,29)
InChIKeyHYRFVTSBYFPFST-UHFFFAOYSA-N
XLogP2.48
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783686
N-(2-methylpropyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40572002
N-[(2S)-3-methylbutan-2-yl]-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40571986
N-(4-fluorophenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55321725
3-(4-methyl-2-pyridinyl)-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 17403691
tert-butyl 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 40571999
3-(4-methyl-2-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 17404456
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 112783675
1-methyl-N-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide
CID 7465780
N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41460806
(2S)-N-carbamoyl-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40572030
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55843500

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide (CID 16611612) is 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide is Cc1ccnc(-n2c(SCC(=O)NC(=O)c3cccn3C)nc3ccccc3c2=O)c1.
What is the InChIKey of 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide?
The InChIKey is HYRFVTSBYFPFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-14-9-10-23-18(12-14)27-21(30)15-6-3-4-7-16(15)24-22(27)31-13-19(28)25-20(29)17-8-5-11-26(17)2/h3-12H,13H2,1-2H3,(H,25,28,29).
What are the key properties of 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide?
1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide is sourced from PubChem (CID 16611612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).