3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline

C17H14ClN3 — CID 80971058

IUPAC3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cnc2ccccc2c1
InChIInChI=1S/C17H14ClN3/c1-10-15(20-17(11-6-7-11)21-16(10)18)13-8-12-4-2-3-5-14(12)19-9-13/h2-5,8-9,11H,6-7H2,1H3
InChIKeyDHFGKBWPUGAEIV-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.53
Rot. Bonds2

About 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline

3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline (PubChem CID 80971058) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline
PubChem CID80971058
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cnc2ccccc2c1
InChIInChI=1S/C17H14ClN3/c1-10-15(20-17(11-6-7-11)21-16(10)18)13-8-12-4-2-3-5-14(12)19-9-13/h2-5,8-9,11H,6-7H2,1H3
InChIKeyDHFGKBWPUGAEIV-UHFFFAOYSA-N
XLogP4.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine
CID 80975934
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
CID 80970542
4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80970010
4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
CID 80974850
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
3-(3-fluoro-6-methyl-2-pyridinyl)quinoline
CID 166386545
2-cyclopropyl-4-methylquinazoline
CID 125485974
3-(2,3-dichlorophenyl)quinoline
CID 175328556
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375
2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 80975439
4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80975037

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline?
The IUPAC name of 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline (CID 80971058) is 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline.
What is the SMILES notation for 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline?
The canonical SMILES for 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline is Cc1c(Cl)nc(C2CC2)nc1-c1cnc2ccccc2c1.
What is the InChIKey of 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline?
The InChIKey is DHFGKBWPUGAEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-10-15(20-17(11-6-7-11)21-16(10)18)13-8-12-4-2-3-5-14(12)19-9-13/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline?
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline has a molecular weight of 295.77 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline is sourced from PubChem (CID 80971058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).