4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline

C16H19ClN4 — CID 79917034

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline
SMILESClc1nc(N2CCN3CCCCC3C2)c2ccccc2n1
InChIInChI=1S/C16H19ClN4/c17-16-18-14-7-2-1-6-13(14)15(19-16)21-10-9-20-8-4-3-5-12(20)11-21/h1-2,6-7,12H,3-5,8-11H2
InChIKeyLNZPRYDWVFTPSS-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.96
Rot. Bonds1

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline (PubChem CID 79917034) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline
PubChem CID79917034
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline
SMILESClc1nc(N2CCN3CCCCC3C2)c2ccccc2n1
InChIInChI=1S/C16H19ClN4/c17-16-18-14-7-2-1-6-13(14)15(19-16)21-10-9-20-8-4-3-5-12(20)11-21/h1-2,6-7,12H,3-5,8-11H2
InChIKeyLNZPRYDWVFTPSS-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline with MolForge

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Related Compounds

2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103322108
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
CID 102963258
2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline
CID 20963273
2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
CID 42149937
2-quinolin-5-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915081
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-4-carboxylic acid
CID 107062809
4-(azepan-1-yl)-N-[(3S)-1-cyclohexylazepan-3-yl]quinazolin-2-amine
CID 66904161
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
CID 103536646

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline (CID 79917034) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline is Clc1nc(N2CCN3CCCCC3C2)c2ccccc2n1.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline?
The InChIKey is LNZPRYDWVFTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-16-18-14-7-2-1-6-13(14)15(19-16)21-10-9-20-8-4-3-5-12(20)11-21/h1-2,6-7,12H,3-5,8-11H2.
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline has a molecular weight of 302.81 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline is sourced from PubChem (CID 79917034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).