3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine

C14H17ClN2O — CID 63386357

IUPAC3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine
SMILESCOc1ccc(Cl)c2nc(N)c(C(C)(C)C)cc12
InChIInChI=1S/C14H17ClN2O/c1-14(2,3)9-7-8-11(18-4)6-5-10(15)12(8)17-13(9)16/h5-7H,1-4H3,(H2,16,17)
InChIKeyDCZBIHNIXRQOTA-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.78
Rot. Bonds1

About 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine

3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine (PubChem CID 63386357) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine
PubChem CID63386357
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine
SMILESCOc1ccc(Cl)c2nc(N)c(C(C)(C)C)cc12
InChIInChI=1S/C14H17ClN2O/c1-14(2,3)9-7-8-11(18-4)6-5-10(15)12(8)17-13(9)16/h5-7H,1-4H3,(H2,16,17)
InChIKeyDCZBIHNIXRQOTA-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dichloro-5-methoxy-3-methylquinoline
CID 63232144
3-tert-butyl-8-methoxy-5-nitroquinolin-2-amine
CID 63382358
2,8-dichloro-3-ethyl-5-methoxyquinoline
CID 63232145
(8-chloro-5-methoxy-3-propylquinolin-2-yl)hydrazine
CID 63233166
3-tert-butyl-6-methoxy-8-methylquinolin-2-amine
CID 63385968
8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid
CID 84642729
2-tert-butyl-4-chloro-5,8-dimethoxyquinoline
CID 43668703
2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid
CID 84634455
4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
CID 80867099
8-bromo-3-tert-butylquinolin-2-amine
CID 63382033
8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744590
2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid
CID 84640034

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine?
The IUPAC name of 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine (CID 63386357) is 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine is COc1ccc(Cl)c2nc(N)c(C(C)(C)C)cc12.
What is the InChIKey of 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine?
The InChIKey is DCZBIHNIXRQOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14(2,3)9-7-8-11(18-4)6-5-10(15)12(8)17-13(9)16/h5-7H,1-4H3,(H2,16,17).
What are the key properties of 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine?
3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine has a molecular weight of 264.76 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-chloro-5-methoxyquinolin-2-amine is sourced from PubChem (CID 63386357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).