7-chloro-4-(2H-pyrimidin-1-yl)quinoline

C13H10ClN3 — CID 66921299

IUPAC7-chloro-4-(2H-pyrimidin-1-yl)quinoline
SMILESClc1ccc2c(N3C=CC=NC3)ccnc2c1
InChIInChI=1S/C13H10ClN3/c14-10-2-3-11-12(8-10)16-6-4-13(11)17-7-1-5-15-9-17/h1-8H,9H2
InChIKeyMUFRVEJOPPPZBH-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.25
Rot. Bonds1

About 7-chloro-4-(2H-pyrimidin-1-yl)quinoline

7-chloro-4-(2H-pyrimidin-1-yl)quinoline (PubChem CID 66921299) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 7-chloro-4-(2H-pyrimidin-1-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(2H-pyrimidin-1-yl)quinoline
PubChem CID66921299
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name7-chloro-4-(2H-pyrimidin-1-yl)quinoline
SMILESClc1ccc2c(N3C=CC=NC3)ccnc2c1
InChIInChI=1S/C13H10ClN3/c14-10-2-3-11-12(8-10)16-6-4-13(11)17-7-1-5-15-9-17/h1-8H,9H2
InChIKeyMUFRVEJOPPPZBH-UHFFFAOYSA-N
XLogP3.25
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
1-(3-chlorophenyl)-2H-pyrimidine
CID 154175502
4,7-dichloroquinoline
CID 6866
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 68789138
4-(7-chloroquinolin-4-yl)piperazin-2-one
CID 39847442
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2H-pyrimidin-1-yl)quinoline?
The IUPAC name of 7-chloro-4-(2H-pyrimidin-1-yl)quinoline (CID 66921299) is 7-chloro-4-(2H-pyrimidin-1-yl)quinoline.
What is the SMILES notation for 7-chloro-4-(2H-pyrimidin-1-yl)quinoline?
The canonical SMILES for 7-chloro-4-(2H-pyrimidin-1-yl)quinoline is Clc1ccc2c(N3C=CC=NC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-(2H-pyrimidin-1-yl)quinoline?
The InChIKey is MUFRVEJOPPPZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-10-2-3-11-12(8-10)16-6-4-13(11)17-7-1-5-15-9-17/h1-8H,9H2.
What are the key properties of 7-chloro-4-(2H-pyrimidin-1-yl)quinoline?
7-chloro-4-(2H-pyrimidin-1-yl)quinoline has a molecular weight of 243.70 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2H-pyrimidin-1-yl)quinoline is sourced from PubChem (CID 66921299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).