2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C16H13N3O — CID 136798678

IUPAC2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cncc3ccccc23)nc2c1CCC2
InChIInChI=1S/C16H13N3O/c20-16-12-6-3-7-14(12)18-15(19-16)13-9-17-8-10-4-1-2-5-11(10)13/h1-2,4-5,8-9H,3,6-7H2,(H,18,19,20)
InChIKeyIQNLGNGQEAMKNH-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.47
Rot. Bonds1

About 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136798678) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136798678
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cncc3ccccc23)nc2c1CCC2
InChIInChI=1S/C16H13N3O/c20-16-12-6-3-7-14(12)18-15(19-16)13-9-17-8-10-4-1-2-5-11(10)13/h1-2,4-5,8-9H,3,6-7H2,(H,18,19,20)
InChIKeyIQNLGNGQEAMKNH-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline
CID 166273296
2-pyridin-4-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975277
2-(naphthalen-1-ylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611977
2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136829190
2-(2,4-dichlorophenyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975344
2-(furan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975234
2-(5-methylsulfanylthiophen-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136961117
4-isoquinolin-4-yl-2H-phthalazin-1-one
CID 106518041
2-(3-bromo-4-chlorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136924208
2-(2-ethylpyrazol-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137015390
2-iodo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136981066
2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136965533

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136798678) is 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(-c2cncc3ccccc23)nc2c1CCC2.
What is the InChIKey of 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is IQNLGNGQEAMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-12-6-3-7-14(12)18-15(19-16)13-9-17-8-10-4-1-2-5-11(10)13/h1-2,4-5,8-9H,3,6-7H2,(H,18,19,20).
What are the key properties of 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136798678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).