4-chloro-N-pyrimidin-2-ylquinolin-3-amine

C13H9ClN4 — CID 42598988

IUPAC4-chloro-N-pyrimidin-2-ylquinolin-3-amine
SMILESClc1c(Nc2ncccn2)cnc2ccccc12
InChIInChI=1S/C13H9ClN4/c14-12-9-4-1-2-5-10(9)17-8-11(12)18-13-15-6-3-7-16-13/h1-8H,(H,15,16,18)
InChIKeyUJKXXCCHHAMBAM-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-N-pyrimidin-2-ylquinolin-3-amine

4-chloro-N-pyrimidin-2-ylquinolin-3-amine (PubChem CID 42598988) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 4-chloro-N-pyrimidin-2-ylquinolin-3-amine.

Molecular Properties

Compound Name4-chloro-N-pyrimidin-2-ylquinolin-3-amine
PubChem CID42598988
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name4-chloro-N-pyrimidin-2-ylquinolin-3-amine
SMILESClc1c(Nc2ncccn2)cnc2ccccc12
InChIInChI=1S/C13H9ClN4/c14-12-9-4-1-2-5-10(9)17-8-11(12)18-13-15-6-3-7-16-13/h1-8H,(H,15,16,18)
InChIKeyUJKXXCCHHAMBAM-UHFFFAOYSA-N
XLogP3.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-isoquinolin-1-ylquinolin-3-amine
CID 42598990
N-(4-chloroquinolin-3-yl)formamide
CID 86227468
4-chloro-3-fluoroquinoline
CID 22284824
(4-chloroquinolin-3-yl)methylidenehydrazine
CID 1480737
4-chloro-3-nitroquinoline;ethane
CID 90799881
4-chloro-N-methylquinoline-3-sulfonamide
CID 15643029
4-chloroquinoline-3-sulfinate
CID 68729920
4-chloro-N-ethylquinoline-3-sulfonamide
CID 15643030
4-chloro-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 61013625
N-(4-iodo-3-pyridinyl)pyrimidin-2-amine
CID 170346593
4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide
CID 44590767
N-pyridin-2-ylquinolin-5-amine
CID 163837098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyrimidin-2-ylquinolin-3-amine?
The IUPAC name of 4-chloro-N-pyrimidin-2-ylquinolin-3-amine (CID 42598988) is 4-chloro-N-pyrimidin-2-ylquinolin-3-amine.
What is the SMILES notation for 4-chloro-N-pyrimidin-2-ylquinolin-3-amine?
The canonical SMILES for 4-chloro-N-pyrimidin-2-ylquinolin-3-amine is Clc1c(Nc2ncccn2)cnc2ccccc12.
What is the InChIKey of 4-chloro-N-pyrimidin-2-ylquinolin-3-amine?
The InChIKey is UJKXXCCHHAMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-12-9-4-1-2-5-10(9)17-8-11(12)18-13-15-6-3-7-16-13/h1-8H,(H,15,16,18).
What are the key properties of 4-chloro-N-pyrimidin-2-ylquinolin-3-amine?
4-chloro-N-pyrimidin-2-ylquinolin-3-amine has a molecular weight of 256.70 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pyrimidin-2-ylquinolin-3-amine is sourced from PubChem (CID 42598988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).