2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one

C16H15N5O2 — CID 137264492

IUPAC2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one
SMILESCOc1ncnc2c1CN(c1nc3ccccc3c(=O)[nH]1)CC2
InChIInChI=1S/C16H15N5O2/c1-23-15-11-8-21(7-6-12(11)17-9-18-15)16-19-13-5-3-2-4-10(13)14(22)20-16/h2-5,9H,6-8H2,1H3,(H,19,20,22)
InChIKeyGTGSOIMKDIUILJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.28
Rot. Bonds2

About 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one

2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one (PubChem CID 137264492) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one
PubChem CID137264492
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one
SMILESCOc1ncnc2c1CN(c1nc3ccccc3c(=O)[nH]1)CC2
InChIInChI=1S/C16H15N5O2/c1-23-15-11-8-21(7-6-12(11)17-9-18-15)16-19-13-5-3-2-4-10(13)14(22)20-16/h2-5,9H,6-8H2,1H3,(H,19,20,22)
InChIKeyGTGSOIMKDIUILJ-UHFFFAOYSA-N
XLogP1.28
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
CID 137264350
2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one
CID 137269546
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 146134599
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one
CID 135782154
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
CID 136673956
3-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrazine-2-carbonitrile
CID 133284845
2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543038

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one (CID 137264492) is 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one is COc1ncnc2c1CN(c1nc3ccccc3c(=O)[nH]1)CC2.
What is the InChIKey of 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one?
The InChIKey is GTGSOIMKDIUILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-15-11-8-21(7-6-12(11)17-9-18-15)16-19-13-5-3-2-4-10(13)14(22)20-16/h2-5,9H,6-8H2,1H3,(H,19,20,22).
What are the key properties of 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one?
2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one has a molecular weight of 309.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137264492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).