N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide

C18H21N3O2 — CID 60557838

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
SMILESCC(C)(CNC(=O)c1cc(C2CC2)nc2ccccc12)C(N)=O
InChIInChI=1S/C18H21N3O2/c1-18(2,17(19)23)10-20-16(22)13-9-15(11-7-8-11)21-14-6-4-3-5-12(13)14/h3-6,9,11H,7-8,10H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyNLYGNEXNUZXFDG-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.35
Rot. Bonds5

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide (PubChem CID 60557838) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
PubChem CID60557838
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
SMILESCC(C)(CNC(=O)c1cc(C2CC2)nc2ccccc12)C(N)=O
InChIInChI=1S/C18H21N3O2/c1-18(2,17(19)23)10-20-16(22)13-9-15(11-7-8-11)21-14-6-4-3-5-12(13)14/h3-6,9,11H,7-8,10H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyNLYGNEXNUZXFDG-UHFFFAOYSA-N
XLogP2.35
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide
CID 46533084
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide (CID 60557838) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide is CC(C)(CNC(=O)c1cc(C2CC2)nc2ccccc12)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide?
The InChIKey is NLYGNEXNUZXFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(2,17(19)23)10-20-16(22)13-9-15(11-7-8-11)21-14-6-4-3-5-12(13)14/h3-6,9,11H,7-8,10H2,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 60557838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).