7aH-pyrimido[6,1-a]isoquinoline

C12H10N2 — CID 57306789

IUPAC7aH-pyrimido[6,1-a]isoquinoline
SMILESC1=CC2=C3C=CN=CN3C=CC2C=C1
InChIInChI=1S/C12H10N2/c1-2-4-11-10(3-1)6-8-14-9-13-7-5-12(11)14/h1-10H
InChIKeyJVCKROVTFRZWQS-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.37
Rot. Bonds

About 7aH-pyrimido[6,1-a]isoquinoline

7aH-pyrimido[6,1-a]isoquinoline (PubChem CID 57306789) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7aH-pyrimido[6,1-a]isoquinoline.

Molecular Properties

Compound Name7aH-pyrimido[6,1-a]isoquinoline
PubChem CID57306789
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7aH-pyrimido[6,1-a]isoquinoline
SMILESC1=CC2=C3C=CN=CN3C=CC2C=C1
InChIInChI=1S/C12H10N2/c1-2-4-11-10(3-1)6-8-14-9-13-7-5-12(11)14/h1-10H
InChIKeyJVCKROVTFRZWQS-UHFFFAOYSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7aH-[1,3,5]triazino[2,1-a]isoquinoline
CID 57009001
7-Methyl-6,7-dihydropyrimido[1,6-a]azepine
CID 117656108
4aH-pyrido[1,2-c]pyrimidine
CID 123905856
1-methyl-8aH-quinazoline
CID 145507126
1,7a-Dihydroindolo[1,2-c]quinazoline
CID 148548379
6,6-Dimethylpyrido[1,2-c]pyrimidine
CID 152826994
3-Ethyl-3-methylpyrido[1,2-c]pyrimidine
CID 153553566
5-methyl-6-propan-2-yl-8H-pyrido[1,2-c]pyrimidine
CID 155404005
N,N-dimethyl-N'-[(3Z)-3-(6-methylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]methanimidamide
CID 169802114
N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine
CID 170615933
(4Z,7E)-1,7-dimethyl-9-methylidene-6H-1,3-diazonine
CID 173554668
1,3-dimethyl-5H-quinazolin-3-ium
CID 136076142

Frequently Asked Questions

What is the IUPAC name of 7aH-pyrimido[6,1-a]isoquinoline?
The IUPAC name of 7aH-pyrimido[6,1-a]isoquinoline (CID 57306789) is 7aH-pyrimido[6,1-a]isoquinoline.
What is the SMILES notation for 7aH-pyrimido[6,1-a]isoquinoline?
The canonical SMILES for 7aH-pyrimido[6,1-a]isoquinoline is C1=CC2=C3C=CN=CN3C=CC2C=C1.
What is the InChIKey of 7aH-pyrimido[6,1-a]isoquinoline?
The InChIKey is JVCKROVTFRZWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-4-11-10(3-1)6-8-14-9-13-7-5-12(11)14/h1-10H.
What are the key properties of 7aH-pyrimido[6,1-a]isoquinoline?
7aH-pyrimido[6,1-a]isoquinoline has a molecular weight of 182.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-pyrimido[6,1-a]isoquinoline is sourced from PubChem (CID 57306789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).