N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide

C15H17FN2O — CID 110489287

IUPACN-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)c2cccc(F)c2n1
InChIInChI=1S/C15H17FN2O/c1-9-8-11(14(19)18-15(2,3)4)10-6-5-7-12(16)13(10)17-9/h5-8H,1-4H3,(H,18,19)
InChIKeyFWDPVHXJAYHQHM-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.21
Rot. Bonds1

About N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide

N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 110489287) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide
PubChem CID110489287
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)c2cccc(F)c2n1
InChIInChI=1S/C15H17FN2O/c1-9-8-11(14(19)18-15(2,3)4)10-6-5-7-12(16)13(10)17-9/h5-8H,1-4H3,(H,18,19)
InChIKeyFWDPVHXJAYHQHM-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
8-fluoro-2-methyl-N-phenylquinoline-4-carboxamide
CID 110489296
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849
N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060920
8-fluoro-2-methylquinoline-4-carbonitrile
CID 82448796
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
8-fluoro-N-hydroxy-6-iodo-2-methylquinoline-4-carboxamide
CID 82574515
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
CID 133368255
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide (CID 110489287) is N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)(C)C)c2cccc(F)c2n1.
What is the InChIKey of N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is FWDPVHXJAYHQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-9-8-11(14(19)18-15(2,3)4)10-6-5-7-12(16)13(10)17-9/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide?
N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 110489287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).