2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline

C15H18ClN3 — CID 62478018

IUPAC2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
SMILESCCC1CCCN(c2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C15H18ClN3/c1-2-11-6-5-9-19(10-11)14-12-7-3-4-8-13(12)17-15(16)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyWGPQQVYEVTWCIH-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.91
Rot. Bonds2

About 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline

2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline (PubChem CID 62478018) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
PubChem CID62478018
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
SMILESCCC1CCCN(c2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C15H18ClN3/c1-2-11-6-5-9-19(10-11)14-12-7-3-4-8-13(12)17-15(16)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyWGPQQVYEVTWCIH-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
CID 102963258
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline
CID 79917034
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
CID 103536646
2-(3-ethylpiperidin-1-yl)quinoline-4-carbothioamide
CID 63885900
2-chloro-6-(3-ethylpiperidin-1-yl)pyridine
CID 63588602
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 61340983
2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
CID 42149937

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline?
The IUPAC name of 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline (CID 62478018) is 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline?
The canonical SMILES for 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline is CCC1CCCN(c2nc(Cl)nc3ccccc23)C1.
What is the InChIKey of 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline?
The InChIKey is WGPQQVYEVTWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-11-6-5-9-19(10-11)14-12-7-3-4-8-13(12)17-15(16)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline?
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline has a molecular weight of 275.78 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 62478018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).