7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine

C18H22ClN3O — CID 133378078

IUPAC7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
SMILESClc1ccc2c(NC3CCOC4(CCCCC4)C3)ncnc2c1
InChIInChI=1S/C18H22ClN3O/c19-13-4-5-15-16(10-13)20-12-21-17(15)22-14-6-9-23-18(11-14)7-2-1-3-8-18/h4-5,10,12,14H,1-3,6-9,11H2,(H,20,21,22)
InChIKeySQLYSXURDRLFDB-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.58
Rot. Bonds2

About 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine

7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine (PubChem CID 133378078) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
PubChem CID133378078
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
SMILESClc1ccc2c(NC3CCOC4(CCCCC4)C3)ncnc2c1
InChIInChI=1S/C18H22ClN3O/c19-13-4-5-15-16(10-13)20-12-21-17(15)22-14-6-9-23-18(11-14)7-2-1-3-8-18/h4-5,10,12,14H,1-3,6-9,11H2,(H,20,21,22)
InChIKeySQLYSXURDRLFDB-UHFFFAOYSA-N
XLogP4.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625
5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133377878
7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
CID 97253924
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133377862
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
1-(3,5-dimethylphenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 154872937
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399280
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
3-chloro-5-nitro-N-(1-oxaspiro[5.5]undecan-4-yl)pyridin-2-amine
CID 133378045

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine?
The IUPAC name of 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine (CID 133378078) is 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine is Clc1ccc2c(NC3CCOC4(CCCCC4)C3)ncnc2c1.
What is the InChIKey of 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine?
The InChIKey is SQLYSXURDRLFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c19-13-4-5-15-16(10-13)20-12-21-17(15)22-14-6-9-23-18(11-14)7-2-1-3-8-18/h4-5,10,12,14H,1-3,6-9,11H2,(H,20,21,22).
What are the key properties of 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine?
7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine has a molecular weight of 331.85 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine is sourced from PubChem (CID 133378078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).