1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol

C15H20N4O — CID 107403605

IUPAC1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2ncnc3ccc(N)cc23)CC1
InChIInChI=1S/C15H20N4O/c1-15(20)5-2-7-19(8-6-15)14-12-9-11(16)3-4-13(12)17-10-18-14/h3-4,9-10,20H,2,5-8,16H2,1H3
InChIKeyGCOHMILRDNPPOV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.95
Rot. Bonds1

About 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol

1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol (PubChem CID 107403605) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
PubChem CID107403605
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2ncnc3ccc(N)cc23)CC1
InChIInChI=1S/C15H20N4O/c1-15(20)5-2-7-19(8-6-15)14-12-9-11(16)3-4-13(12)17-10-18-14/h3-4,9-10,20H,2,5-8,16H2,1H3
InChIKeyGCOHMILRDNPPOV-UHFFFAOYSA-N
XLogP1.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N4-Phenylquinazoline-4,6-diamine
CID 5328187
6-Amino-4-[(3-methylphenyl)amino]quinazoline
CID 10220590
Methyl-quinazolin-6-yl-amine
CID 44297343
N4-Phenethylquinazoline-4,6-diamine
CID 509536
4-N-benzylquinazoline-4,6-diamine
CID 5328028
N4-(2-cyclohexylethyl)quinazoline-4,6-diamine
CID 509537
N4-[2-(p-tolyl)ethyl]quinazoline-4,6-diamine
CID 509560
Diethyl[3-(quinazolin-4-ylamino)propyl]amine, chloride
CID 2789697
4-[(3-Methylphenyl)amino]-6-(methylamino)quinazoline
CID 10106867
(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol
CID 71041848

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol (CID 107403605) is 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol is CC1(O)CCCN(c2ncnc3ccc(N)cc23)CC1.
What is the InChIKey of 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol?
The InChIKey is GCOHMILRDNPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(20)5-2-7-19(8-6-15)14-12-9-11(16)3-4-13(12)17-10-18-14/h3-4,9-10,20H,2,5-8,16H2,1H3.
What are the key properties of 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol?
1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol has a molecular weight of 272.35 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).