7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane

C15H22ClN3 — CID 156733545

IUPAC7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
SMILESCC.CC(C)CCNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3.C2H6/c1-9(2)5-6-15-13-11-4-3-10(14)7-12(11)16-8-17-13;1-2/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17);1-2H3
InChIKeyCVCXBLFWEUFBQD-UHFFFAOYSA-N
MW279.82 g/mol
LogP4.77
Rot. Bonds4

About 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane

7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane (PubChem CID 156733545) has the molecular formula C15H22ClN3 and a molecular weight of 279.82 g/mol. Its IUPAC name is 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane.

Molecular Properties

Compound Name7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
PubChem CID156733545
Molecular FormulaC15H22ClN3
Molecular Weight279.82 g/mol
Exact Mass279.15
IUPAC Name7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
SMILESCC.CC(C)CCNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3.C2H6/c1-9(2)5-6-15-13-11-4-3-10(14)7-12(11)16-8-17-13;1-2/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17);1-2H3
InChIKeyCVCXBLFWEUFBQD-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.82
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 133346889
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 1475072
7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
CID 36722460
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 167983059
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
CID 133307011
6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine
CID 69016704

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane?
The IUPAC name of 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane (CID 156733545) is 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane.
What is the SMILES notation for 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane?
The canonical SMILES for 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane is CC.CC(C)CCNc1ncnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane?
The InChIKey is CVCXBLFWEUFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3.C2H6/c1-9(2)5-6-15-13-11-4-3-10(14)7-12(11)16-8-17-13;1-2/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17);1-2H3.
What are the key properties of 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane?
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane has a molecular weight of 279.82 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane is sourced from PubChem (CID 156733545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).