7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine

C15H13ClN4 — CID 36722460

IUPAC7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
SMILESClc1ccc2c(NCCc3cccnc3)ncnc2c1
InChIInChI=1S/C15H13ClN4/c16-12-3-4-13-14(8-12)19-10-20-15(13)18-7-5-11-2-1-6-17-9-11/h1-4,6,8-10H,5,7H2,(H,18,19,20)
InChIKeyWEWQOAVBGJKOQZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.33
Rot. Bonds4

About 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine

7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine (PubChem CID 36722460) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
PubChem CID36722460
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
SMILESClc1ccc2c(NCCc3cccnc3)ncnc2c1
InChIInChI=1S/C15H13ClN4/c16-12-3-4-13-14(8-12)19-10-20-15(13)18-7-5-11-2-1-6-17-9-11/h1-4,6,8-10H,5,7H2,(H,18,19,20)
InChIKeyWEWQOAVBGJKOQZ-UHFFFAOYSA-N
XLogP3.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
CID 6984765
6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 118916056
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine?
The IUPAC name of 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine (CID 36722460) is 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine is Clc1ccc2c(NCCc3cccnc3)ncnc2c1.
What is the InChIKey of 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine?
The InChIKey is WEWQOAVBGJKOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-12-3-4-13-14(8-12)19-10-20-15(13)18-7-5-11-2-1-6-17-9-11/h1-4,6,8-10H,5,7H2,(H,18,19,20).
What are the key properties of 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine?
7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine has a molecular weight of 284.75 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 36722460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).