4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine

C16H21N3O2 — CID 152704088

IUPAC4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Oc2ncnc3cc(OC)ccc23)CC1
InChIInChI=1S/C16H21N3O2/c1-17-11-3-5-12(6-4-11)21-16-14-8-7-13(20-2)9-15(14)18-10-19-16/h7-12,17H,3-6H2,1-2H3
InChIKeyZSEVPGJVLAIYLY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.55
Rot. Bonds4

About 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine

4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine (PubChem CID 152704088) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine
PubChem CID152704088
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Oc2ncnc3cc(OC)ccc23)CC1
InChIInChI=1S/C16H21N3O2/c1-17-11-3-5-12(6-4-11)21-16-14-8-7-13(20-2)9-15(14)18-10-19-16/h7-12,17H,3-6H2,1-2H3
InChIKeyZSEVPGJVLAIYLY-UHFFFAOYSA-N
XLogP2.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
CID 66751905
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
N-cyclopentyl-7-methoxy-2-methylquinolin-4-amine
CID 110432874
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
cyclopropyl-diimino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-λ6-sulfane
CID 177346125
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane
CID 177346013
4-(azepan-4-yl)-7-methoxyquinazoline
CID 162748452
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
N-cyclobutyl-7-methoxy-2,4-dimethyl-1,2,4-benzotriazine-2,4-diium-3-amine
CID 123983432
(7-methoxyquinazolin-4-yl)methanamine
CID 105443558

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine (CID 152704088) is 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine is CNC1CCC(Oc2ncnc3cc(OC)ccc23)CC1.
What is the InChIKey of 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine?
The InChIKey is ZSEVPGJVLAIYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-11-3-5-12(6-4-11)21-16-14-8-7-13(20-2)9-15(14)18-10-19-16/h7-12,17H,3-6H2,1-2H3.
What are the key properties of 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine?
4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 152704088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).