2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one

C22H18N4O2 — CID 137002340

IUPAC2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3c(c2)CCCN3c2ccccc2)nc2cnccc12
InChIInChI=1S/C22H18N4O2/c27-21-18-10-11-23-14-19(18)24-22(25-21)28-17-8-9-20-15(13-17)5-4-12-26(20)16-6-2-1-3-7-16/h1-3,6-11,13-14H,4-5,12H2,(H,24,25,27)
InChIKeyUOHPJYFCEUANGX-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.19
Rot. Bonds3

About 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137002340) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137002340
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3c(c2)CCCN3c2ccccc2)nc2cnccc12
InChIInChI=1S/C22H18N4O2/c27-21-18-10-11-23-14-19(18)24-22(25-21)28-17-8-9-20-15(13-17)5-4-12-26(20)16-6-2-1-3-7-16/h1-3,6-11,13-14H,4-5,12H2,(H,24,25,27)
InChIKeyUOHPJYFCEUANGX-UHFFFAOYSA-N
XLogP4.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137002340) is 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(Oc2ccc3c(c2)CCCN3c2ccccc2)nc2cnccc12.
What is the InChIKey of 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UOHPJYFCEUANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-21-18-10-11-23-14-19(18)24-22(25-21)28-17-8-9-20-15(13-17)5-4-12-26(20)16-6-2-1-3-7-16/h1-3,6-11,13-14H,4-5,12H2,(H,24,25,27).
What are the key properties of 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 370.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137002340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).