2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline

C14H16ClN3 — CID 42149937

IUPAC2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
SMILESC[C@H]1CCCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H16ClN3/c1-10-6-4-5-9-18(10)13-11-7-2-3-8-12(11)16-14(15)17-13/h2-3,7-8,10H,4-6,9H2,1H3/t10-/m0/s1
InChIKeyJQLXXFZWEZHAIS-JTQLQIEISA-N
MW261.76 g/mol
LogP3.66
Rot. Bonds1

About 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline

2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline (PubChem CID 42149937) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline.

Molecular Properties

Compound Name2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
PubChem CID42149937
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
SMILESC[C@H]1CCCCN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H16ClN3/c1-10-6-4-5-9-18(10)13-11-7-2-3-8-12(11)16-14(15)17-13/h2-3,7-8,10H,4-6,9H2,1H3/t10-/m0/s1
InChIKeyJQLXXFZWEZHAIS-JTQLQIEISA-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-methylpiperidin-1-yl)quinazolin-2-yl]hydrazine
CID 80928083
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
4-(2-chloroquinazolin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 62478030
4-[(2S)-2-methylpiperidin-1-yl]-2-(4-nitrophenyl)quinazoline
CID 1418966
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline
CID 79917034
2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
CID 63375255
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176
3-(2-methylpiperidin-1-yl)-1,2-benzoxazole
CID 54476085
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline?
The IUPAC name of 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline (CID 42149937) is 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline.
What is the SMILES notation for 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline?
The canonical SMILES for 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline is C[C@H]1CCCCN1c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline?
The InChIKey is JQLXXFZWEZHAIS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-6-4-5-9-18(10)13-11-7-2-3-8-12(11)16-14(15)17-13/h2-3,7-8,10H,4-6,9H2,1H3/t10-/m0/s1.
What are the key properties of 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline?
2-chloro-4-[(2S)-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 2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline is sourced from PubChem (CID 42149937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).