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

C17H15N5O — CID 17198451

IUPAC2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
SMILESNc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3=O
InChIInChI=1S/C17H15N5O/c18-15-14-12(9-5-2-1-3-6-9)13-10(7-4-8-11(13)23)20-16(14)22-17(19)21-15/h1-3,5-6H,4,7-8H2,(H4,18,19,20,21,22)
InChIKeyUXDMWUGESLOAAI-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.38
Rot. Bonds1

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

2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one (PubChem CID 17198451) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
PubChem CID17198451
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
SMILESNc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3=O
InChIInChI=1S/C17H15N5O/c18-15-14-12(9-5-2-1-3-6-9)13-10(7-4-8-11(13)23)20-16(14)22-17(19)21-15/h1-3,5-6H,4,7-8H2,(H4,18,19,20,21,22)
InChIKeyUXDMWUGESLOAAI-UHFFFAOYSA-N
XLogP2.38
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

12-anilino-6H-quinolino[2,3-b]quinolin-11-one
CID 44537024
2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 3116072
2-Amino-6-ethenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 71449775
2-Amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide
CID 71451583
2-Amino-6-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 71451585
2-Amino-6-ethyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 71451586
2-Amino-6-cyclopropyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 71458769
2-Amino-5-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 71462296
(7s)-2-Amino-4-Methyl-7-Phenyl-7,8-Dihydroquinazolin-5(6h)-One
CID 792933
Methanone, (2,4-diamino-7-phenyl-6-pteridinyl)phenyl-
CID 322498
2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 666510
2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 666977

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The IUPAC name of 2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one (CID 17198451) is 2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for 2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for 2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one is Nc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3=O.
What is the InChIKey of 2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The InChIKey is UXDMWUGESLOAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-15-14-12(9-5-2-1-3-6-9)13-10(7-4-8-11(13)23)20-16(14)22-17(19)21-15/h1-3,5-6H,4,7-8H2,(H4,18,19,20,21,22).
What are the key properties of 2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one has a molecular weight of 305.34 g/mol, XLogP of 2.38, 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-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 17198451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).