2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H23N5O — CID 136907868

IUPAC2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCC2)nc2c1CN(Cc1ccc3ncccc3c1)CC2
InChIInChI=1S/C21H23N5O/c27-20-17-14-25(13-15-5-6-18-16(12-15)4-3-8-22-18)11-7-19(17)23-21(24-20)26-9-1-2-10-26/h3-6,8,12H,1-2,7,9-11,13-14H2,(H,23,24,27)
InChIKeyXGKTWBJFUVSVGN-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.48
Rot. Bonds3

About 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136907868) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136907868
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCC2)nc2c1CN(Cc1ccc3ncccc3c1)CC2
InChIInChI=1S/C21H23N5O/c27-20-17-14-25(13-15-5-6-18-16(12-15)4-3-8-22-18)11-7-19(17)23-21(24-20)26-9-1-2-10-26/h3-6,8,12H,1-2,7,9-11,13-14H2,(H,23,24,27)
InChIKeyXGKTWBJFUVSVGN-UHFFFAOYSA-N
XLogP2.48
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-6-(quinoxalin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136673360
2-cyclopropyl-6-(quinolin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861287
1-(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136925266
7-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136673329
2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946523
6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946522
2-(2-methylpiperidin-1-yl)-7-(quinoxalin-6-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707103
7-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-2-pyrrolidin-1-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136816160
6-[[4-(dimethylamino)phenyl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137058276
2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946072
2-propyl-6-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919272
6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946537

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136907868) is 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1ccc3ncccc3c1)CC2.
What is the InChIKey of 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XGKTWBJFUVSVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-20-17-14-25(13-15-5-6-18-16(12-15)4-3-8-22-18)11-7-19(17)23-21(24-20)26-9-1-2-10-26/h3-6,8,12H,1-2,7,9-11,13-14H2,(H,23,24,27).
What are the key properties of 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 361.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-6-(quinolin-6-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136907868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).