N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide

C15H19N3O — CID 63193778

IUPACN-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)CN)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-10-8-12(14(19)18-15(2,3)9-16)11-6-4-5-7-13(11)17-10/h4-8H,9,16H2,1-3H3,(H,18,19)
InChIKeyHMGOANQCBICZDZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.01
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide

N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 63193778) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID63193778
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)CN)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-10-8-12(14(19)18-15(2,3)9-16)11-6-4-5-7-13(11)17-10/h4-8H,9,16H2,1-3H3,(H,18,19)
InChIKeyHMGOANQCBICZDZ-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
CID 114383383
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
CID 54904478
N-[3-(bromomethyl)pentan-3-yl]-2-methylquinoline-4-carboxamide
CID 114315257
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
N-(1-amino-2-methylpropan-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 119522938
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide (CID 63193778) is N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)(C)CN)c2ccccc2n1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is HMGOANQCBICZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-8-12(14(19)18-15(2,3)9-16)11-6-4-5-7-13(11)17-10/h4-8H,9,16H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 63193778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).