N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine

C17H21ClN2O — CID 115764370

IUPACN-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2ccc(Cl)c3cccnc23)CCO1
InChIInChI=1S/C17H21ClN2O/c1-17(2)10-13(7-9-21-17)20-11-12-5-6-15(18)14-4-3-8-19-16(12)14/h3-6,8,13,20H,7,9-11H2,1-2H3
InChIKeyXPXKGYRSKSTUNT-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.94
Rot. Bonds3

About N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine

N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 115764370) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID115764370
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2ccc(Cl)c3cccnc23)CCO1
InChIInChI=1S/C17H21ClN2O/c1-17(2)10-13(7-9-21-17)20-11-12-5-6-15(18)14-4-3-8-19-16(12)14/h3-6,8,13,20H,7,9-11H2,1-2H3
InChIKeyXPXKGYRSKSTUNT-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602
N-[(5-chloroquinolin-8-yl)methyl]-2,3-dimethyloxolan-3-amine
CID 103581109
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580673
N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
CID 112617700
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563698
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563790
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine (CID 115764370) is N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine is CC1(C)CC(NCc2ccc(Cl)c3cccnc23)CCO1.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is XPXKGYRSKSTUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-17(2)10-13(7-9-21-17)20-11-12-5-6-15(18)14-4-3-8-19-16(12)14/h3-6,8,13,20H,7,9-11H2,1-2H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine?
N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 304.82 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115764370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).