7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one

C14H13N3O3 — CID 135822648

IUPAC7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCOc1cc2cc3c(=O)[nH]c(C)nc3nc2cc1OC
InChIInChI=1S/C14H13N3O3/c1-7-15-13-9(14(18)16-7)4-8-5-11(19-2)12(20-3)6-10(8)17-13/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyKGGNVXUZEHIVQW-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.80
Rot. Bonds2

About 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one

7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one (PubChem CID 135822648) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one
PubChem CID135822648
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCOc1cc2cc3c(=O)[nH]c(C)nc3nc2cc1OC
InChIInChI=1S/C14H13N3O3/c1-7-15-13-9(14(18)16-7)4-8-5-11(19-2)12(20-3)6-10(8)17-13/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyKGGNVXUZEHIVQW-UHFFFAOYSA-N
XLogP1.80
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Lotamilast
CID 24864553
Pirolate
CID 135445830
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
Aurora Kinase Inhibitor II
CID 6610278
2-[(3,4-Dimethoxyphenyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 712044
4-(2-Fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 9945927
4-(2,5-Difluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10291931
4-(2,4-Difluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170354
6,7-Dimethoxy-4-(o-tolylamino)quinoline-3-carboxamide
CID 44570804
Ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate
CID 15989993
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide
CID 10072518

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one (CID 135822648) is 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one is COc1cc2cc3c(=O)[nH]c(C)nc3nc2cc1OC.
What is the InChIKey of 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one?
The InChIKey is KGGNVXUZEHIVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7-15-13-9(14(18)16-7)4-8-5-11(19-2)12(20-3)6-10(8)17-13/h4-6H,1-3H3,(H,15,16,17,18).
What are the key properties of 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one?
7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one has a molecular weight of 271.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2-methyl-3H-pyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 135822648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).