2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one

C17H13Cl2N5O — CID 16653247

IUPAC2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
SMILESNc1nc(N)c2c(-c3ccc(Cl)cc3Cl)c3c(nc2n1)CCCC3=O
InChIInChI=1S/C17H13Cl2N5O/c18-7-4-5-8(9(19)6-7)12-13-10(2-1-3-11(13)25)22-16-14(12)15(20)23-17(21)24-16/h4-6H,1-3H2,(H4,20,21,22,23,24)
InChIKeyJIXZLUDCGZDCFT-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.68
Rot. Bonds1

About 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one

2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one (PubChem CID 16653247) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
PubChem CID16653247
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
SMILESNc1nc(N)c2c(-c3ccc(Cl)cc3Cl)c3c(nc2n1)CCCC3=O
InChIInChI=1S/C17H13Cl2N5O/c18-7-4-5-8(9(19)6-7)12-13-10(2-1-3-11(13)25)22-16-14(12)15(20)23-17(21)24-16/h4-6H,1-3H2,(H4,20,21,22,23,24)
InChIKeyJIXZLUDCGZDCFT-UHFFFAOYSA-N
XLogP3.68
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one with MolForge

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Related Compounds

2-Amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide
CID 71451583
7-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 44574665
2-[[4-Amino-5-(4-chlorophenyl)-9-methyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]-1-phenylethanone
CID 54613090
1-(3-{[2-(2,4-Dichlorophenyl)quinazolin-4-yl]amino}phenyl)ethanone
CID 1564603
Cambridge id 6845082
CID 18593623
2-amino-7-[2-(6-chloro-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87839881
4-(3,5-dichloroanilino)-2-(4-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30318747
[1-[(4-Amino-7-chloroquinazolin-2-yl)methyl]piperidin-3-yl]-phenylmethanone
CID 126467302
2,4-Diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one
CID 10642998
2,4-Diamino-10-(4-chlorophenyl)pyrimido[4,5-b]quinolin-5-one
CID 10854465
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 11948703
7-(2-Chlorophenyl)-2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-one
CID 18317464

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The IUPAC name of 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one (CID 16653247) is 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one is Nc1nc(N)c2c(-c3ccc(Cl)cc3Cl)c3c(nc2n1)CCCC3=O.
What is the InChIKey of 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The InChIKey is JIXZLUDCGZDCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c18-7-4-5-8(9(19)6-7)12-13-10(2-1-3-11(13)25)22-16-14(12)15(20)23-17(21)24-16/h4-6H,1-3H2,(H4,20,21,22,23,24).
What are the key properties of 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one has a molecular weight of 374.23 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 16653247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).