3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide

C16H20ClN3O — CID 65269986

IUPAC3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H20ClN3O/c1-15(2,16(3,4)18)14(21)20-12-8-7-11(17)10-6-5-9-19-13(10)12/h5-9H,18H2,1-4H3,(H,20,21)
InChIKeyYZNANVJANMKYGW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.59
Rot. Bonds3

About 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide

3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide (PubChem CID 65269986) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
PubChem CID65269986
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H20ClN3O/c1-15(2,16(3,4)18)14(21)20-12-8-7-11(17)10-6-5-9-19-13(10)12/h5-9H,18H2,1-4H3,(H,20,21)
InChIKeyYZNANVJANMKYGW-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 116785318
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
1-(5-chloroquinolin-8-yl)-3-propan-2-ylthiourea
CID 115577732
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide (CID 65269986) is 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide?
The InChIKey is YZNANVJANMKYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-15(2,16(3,4)18)14(21)20-12-8-7-11(17)10-6-5-9-19-13(10)12/h5-9H,18H2,1-4H3,(H,20,21).
What are the key properties of 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide?
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide has a molecular weight of 305.81 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65269986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).