N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide

C23H27N3O — CID 89318065

IUPACN-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2cnc3cc(C(C)(C)C)ccc3c2)ccc1N
InChIInChI=1S/C23H27N3O/c1-14-10-16(7-9-20(14)24)15(2)26-22(27)18-11-17-6-8-19(23(3,4)5)12-21(17)25-13-18/h6-13,15H,24H2,1-5H3,(H,26,27)/t15-/m1/s1
InChIKeyHZADLVPLCMMROJ-OAHLLOKOSA-N
MW361.49 g/mol
LogP4.91
Rot. Bonds3

About N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide

N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide (PubChem CID 89318065) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide
PubChem CID89318065
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2cnc3cc(C(C)(C)C)ccc3c2)ccc1N
InChIInChI=1S/C23H27N3O/c1-14-10-16(7-9-20(14)24)15(2)26-22(27)18-11-17-6-8-19(23(3,4)5)12-21(17)25-13-18/h6-13,15H,24H2,1-5H3,(H,26,27)/t15-/m1/s1
InChIKeyHZADLVPLCMMROJ-OAHLLOKOSA-N
XLogP4.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
CID 67105818
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230614
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
CID 63523702
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81361437
N-butan-2-ylsulfanyl-7-(trifluoromethyl)quinoline-3-carboxamide
CID 87480063
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[(1R)-1-(2H-benzotriazol-5-yl)ethyl]-2-tert-butylquinoline-6-carboxamide
CID 24794649

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide (CID 89318065) is N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide is Cc1cc([C@@H](C)NC(=O)c2cnc3cc(C(C)(C)C)ccc3c2)ccc1N.
What is the InChIKey of N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide?
The InChIKey is HZADLVPLCMMROJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N3O/c1-14-10-16(7-9-20(14)24)15(2)26-22(27)18-11-17-6-8-19(23(3,4)5)12-21(17)25-13-18/h6-13,15H,24H2,1-5H3,(H,26,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide?
N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-amino-3-methylphenyl)ethyl]-7-tert-butylquinoline-3-carboxamide is sourced from PubChem (CID 89318065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).