6-chloro-4-(2-methylpiperidin-1-yl)quinazoline

C14H16ClN3 — CID 172903082

IUPAC6-chloro-4-(2-methylpiperidin-1-yl)quinazoline
SMILESCC1CCCCN1c1ncnc2ccc(Cl)cc12
InChIInChI=1S/C14H16ClN3/c1-10-4-2-3-7-18(10)14-12-8-11(15)5-6-13(12)16-9-17-14/h5-6,8-10H,2-4,7H2,1H3
InChIKeyXOCXNRKDNXZZMV-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.66
Rot. Bonds1

About 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline

6-chloro-4-(2-methylpiperidin-1-yl)quinazoline (PubChem CID 172903082) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-(2-methylpiperidin-1-yl)quinazoline
PubChem CID172903082
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-4-(2-methylpiperidin-1-yl)quinazoline
SMILESCC1CCCCN1c1ncnc2ccc(Cl)cc12
InChIInChI=1S/C14H16ClN3/c1-10-4-2-3-7-18(10)14-12-8-11(15)5-6-13(12)16-9-17-14/h5-6,8-10H,2-4,7H2,1H3
InChIKeyXOCXNRKDNXZZMV-UHFFFAOYSA-N
XLogP3.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylazepan-1-yl)quinazolin-6-amine
CID 64589320
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714
6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline
CID 59213754
6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 3235618
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
5-chloro-2-(2-methylazepan-1-yl)benzaldehyde
CID 114844359
6-chloro-2-(2-methylpyrrolidin-1-yl)-4-phenylquinoline-3-carbonitrile
CID 86682991
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline?
The IUPAC name of 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline (CID 172903082) is 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline?
The canonical SMILES for 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline is CC1CCCCN1c1ncnc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline?
The InChIKey is XOCXNRKDNXZZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-4-2-3-7-18(10)14-12-8-11(15)5-6-13(12)16-9-17-14/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline?
6-chloro-4-(2-methylpiperidin-1-yl)quinazoline has a molecular weight of 261.76 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-methylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 172903082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).