N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide

C23H24FN3O — CID 143579748

IUPACN-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2ccc3nc(C4(C)CC4)ccc3c2)c(F)cc1N
InChIInChI=1S/C23H24FN3O/c1-13-10-17(18(24)12-19(13)25)14(2)26-22(28)16-4-6-20-15(11-16)5-7-21(27-20)23(3)8-9-23/h4-7,10-12,14H,8-9,25H2,1-3H3,(H,26,28)/t14-/m1/s1
InChIKeyZYEQUUKSMTVMQP-CQSZACIVSA-N
MW377.46 g/mol
LogP4.81
Rot. Bonds4

About N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide

N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide (PubChem CID 143579748) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
PubChem CID143579748
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2ccc3nc(C4(C)CC4)ccc3c2)c(F)cc1N
InChIInChI=1S/C23H24FN3O/c1-13-10-17(18(24)12-19(13)25)14(2)26-22(28)16-4-6-20-15(11-16)5-7-21(27-20)23(3)8-9-23/h4-7,10-12,14H,8-9,25H2,1-3H3,(H,26,28)/t14-/m1/s1
InChIKeyZYEQUUKSMTVMQP-CQSZACIVSA-N
XLogP4.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.81
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

N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 66978035
N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide
CID 67105915
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)quinoline-6-carboxamide
CID 25008134
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide
CID 66978096
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide
CID 66977995
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-[(1R)-1-(2-chloro-4-hydroxy-5-methylphenyl)ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 57433305
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
N-[1-(4-aminosulfanyl-2-fluoro-5-methylphenyl)ethyl]-4-piperidin-1-yl-2-(trifluoromethyl)quinoline-6-carboxamide
CID 143579750
6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25008478

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide?
The IUPAC name of N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide (CID 143579748) is N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide is Cc1cc([C@@H](C)NC(=O)c2ccc3nc(C4(C)CC4)ccc3c2)c(F)cc1N.
What is the InChIKey of N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide?
The InChIKey is ZYEQUUKSMTVMQP-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-13-10-17(18(24)12-19(13)25)14(2)26-22(28)16-4-6-20-15(11-16)5-7-21(27-20)23(3)8-9-23/h4-7,10-12,14H,8-9,25H2,1-3H3,(H,26,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide?
N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 4.81, 4 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-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide is sourced from PubChem (CID 143579748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).