6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one

C14H13N3O3 — CID 149158755

IUPAC6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCCOc1c(OC)ccc2nc3nc[nH]c(=O)c3cc12
InChIInChI=1S/C14H13N3O3/c1-3-20-12-8-6-9-13(15-7-16-14(9)18)17-10(8)4-5-11(12)19-2/h4-7H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyKXERDXDLBQZFGW-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.88
Rot. Bonds3

About 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one

6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one (PubChem CID 149158755) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one
PubChem CID149158755
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one
SMILESCCOc1c(OC)ccc2nc3nc[nH]c(=O)c3cc12
InChIInChI=1S/C14H13N3O3/c1-3-20-12-8-6-9-13(15-7-16-14(9)18)17-10(8)4-5-11(12)19-2/h4-7H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyKXERDXDLBQZFGW-UHFFFAOYSA-N
XLogP1.88
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.88
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

6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
CID 135752751
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
6-ethoxy-7-fluoro-3H-quinazolin-4-one
CID 136677481
1-ethoxy-2-methoxynaphthalene
CID 45093938
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
8-fluoro-7-methoxy-3H-quinazolin-4-one
CID 136983588
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292826
2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168552547
2-(4-methoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 136668680

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one (CID 149158755) is 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one is CCOc1c(OC)ccc2nc3nc[nH]c(=O)c3cc12.
What is the InChIKey of 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one?
The InChIKey is KXERDXDLBQZFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-3-20-12-8-6-9-13(15-7-16-14(9)18)17-10(8)4-5-11(12)19-2/h4-7H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one?
6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one has a molecular weight of 271.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methoxy-3H-pyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 149158755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).