5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one

C21H22N4O3 — CID 135686269

IUPAC5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one
SMILESCOc1cc(OCC2CC2)c2c(=O)[nH]c(N3CCc4ncccc4C3)nc2c1
InChIInChI=1S/C21H22N4O3/c1-27-15-9-17-19(18(10-15)28-12-13-4-5-13)20(26)24-21(23-17)25-8-6-16-14(11-25)3-2-7-22-16/h2-3,7,9-10,13H,4-6,8,11-12H2,1H3,(H,23,24,26)
InChIKeyPWBPSHPWAWOINB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.68
Rot. Bonds5

About 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one

5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one (PubChem CID 135686269) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one
PubChem CID135686269
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one
SMILESCOc1cc(OCC2CC2)c2c(=O)[nH]c(N3CCc4ncccc4C3)nc2c1
InChIInChI=1S/C21H22N4O3/c1-27-15-9-17-19(18(10-15)28-12-13-4-5-13)20(26)24-21(23-17)25-8-6-16-14(11-25)3-2-7-22-16/h2-3,7,9-10,13H,4-6,8,11-12H2,1H3,(H,23,24,26)
InChIKeyPWBPSHPWAWOINB-UHFFFAOYSA-N
XLogP2.68
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one?
The IUPAC name of 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one (CID 135686269) is 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one is COc1cc(OCC2CC2)c2c(=O)[nH]c(N3CCc4ncccc4C3)nc2c1.
What is the InChIKey of 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one?
The InChIKey is PWBPSHPWAWOINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-15-9-17-19(18(10-15)28-12-13-4-5-13)20(26)24-21(23-17)25-8-6-16-14(11-25)3-2-7-22-16/h2-3,7,9-10,13H,4-6,8,11-12H2,1H3,(H,23,24,26).
What are the key properties of 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one?
5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one has a molecular weight of 378.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-7-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135686269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).