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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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).