2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide

C19H19N5OS — CID 2012473

IUPAC2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2)nc2nc3c(cc12)CCCC3
InChIInChI=1S/C19H19N5OS/c20-17-14-10-12-6-4-5-9-15(12)22-18(14)24-19(23-17)26-11-16(25)21-13-7-2-1-3-8-13/h1-3,7-8,10H,4-6,9,11H2,(H,21,25)(H2,20,22,23,24)
InChIKeyZEPIFVCFFCSFFN-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.22
Rot. Bonds4

About 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide

2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2012473) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID2012473
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2)nc2nc3c(cc12)CCCC3
InChIInChI=1S/C19H19N5OS/c20-17-14-10-12-6-4-5-9-15(12)22-18(14)24-19(23-17)26-11-16(25)21-13-7-2-1-3-8-13/h1-3,7-8,10H,4-6,9,11H2,(H,21,25)(H2,20,22,23,24)
InChIKeyZEPIFVCFFCSFFN-UHFFFAOYSA-N
XLogP3.22
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide with MolForge

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Related Compounds

3-[({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amino]propanamide
CID 24971386
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CID 856981
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-4-quinolinylacetamide
CID 934786
2-[2-(1-Adamantyl)quinazolin-4-yl]sulfanylacetamide
CID 3221498
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide
CID 2914369
2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-phenylacetamide
CID 16299919
N-(3-methylphenyl)-2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 17172680
(4-Acetamido-phenyl)-(2-methyl-quinazolin-4-yl)-methylamine
CID 11630903
N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide
CID 57396650
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(1-naphthyl)propanamide
CID 851328
N-{4-[(2-phenyl-4-quinazolinyl)amino]phenyl}acetamide
CID 992642
1-{[(4-Phenyl-5,6,7,8-tetrahydro-2-quinazolinyl)thio]acetyl}-4-piperidinecarboxamide
CID 1088072

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide (CID 2012473) is 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide is Nc1nc(SCC(=O)Nc2ccccc2)nc2nc3c(cc12)CCCC3.
What is the InChIKey of 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is ZEPIFVCFFCSFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c20-17-14-10-12-6-4-5-9-15(12)22-18(14)24-19(23-17)26-11-16(25)21-13-7-2-1-3-8-13/h1-3,7-8,10H,4-6,9,11H2,(H,21,25)(H2,20,22,23,24).
What are the key properties of 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide?
2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 365.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2012473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).