7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine

C15H18ClN3O — CID 133399280

IUPAC7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
SMILESCOC1CCCC(Nc2ncnc3cc(Cl)ccc23)C1
InChIInChI=1S/C15H18ClN3O/c1-20-12-4-2-3-11(8-12)19-15-13-6-5-10(16)7-14(13)17-9-18-15/h5-7,9,11-12H,2-4,8H2,1H3,(H,17,18,19)
InChIKeyRWHZFAMINOQENH-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds3

About 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine

7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine (PubChem CID 133399280) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
PubChem CID133399280
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
SMILESCOC1CCCC(Nc2ncnc3cc(Cl)ccc23)C1
InChIInChI=1S/C15H18ClN3O/c1-20-12-4-2-3-11(8-12)19-15-13-6-5-10(16)7-14(13)17-9-18-15/h5-7,9,11-12H,2-4,8H2,1H3,(H,17,18,19)
InChIKeyRWHZFAMINOQENH-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399430
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
CID 97253924
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 24632856
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
6-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399232
2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 133296788
7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133378078
N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133399449
4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 133357462

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine?
The IUPAC name of 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine (CID 133399280) is 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine is COC1CCCC(Nc2ncnc3cc(Cl)ccc23)C1.
What is the InChIKey of 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine?
The InChIKey is RWHZFAMINOQENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-20-12-4-2-3-11(8-12)19-15-13-6-5-10(16)7-14(13)17-9-18-15/h5-7,9,11-12H,2-4,8H2,1H3,(H,17,18,19).
What are the key properties of 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine?
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 133399280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).