N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C16H20N2O3 — CID 52897924

IUPACN-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NCC3CC3)c(=O)[nH]c2C1
InChIInChI=1S/C16H20N2O3/c1-16(2)6-12-10(13(19)7-16)5-11(15(21)18-12)14(20)17-8-9-3-4-9/h5,9H,3-4,6-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBZXCYNJZDUNJQK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.67
Rot. Bonds3

About N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 52897924) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID52897924
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NCC3CC3)c(=O)[nH]c2C1
InChIInChI=1S/C16H20N2O3/c1-16(2)6-12-10(13(19)7-16)5-11(15(21)18-12)14(20)17-8-9-3-4-9/h5,9H,3-4,6-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBZXCYNJZDUNJQK-UHFFFAOYSA-N
XLogP1.67
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 52897924) is N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NCC3CC3)c(=O)[nH]c2C1.
What is the InChIKey of N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is BZXCYNJZDUNJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2)6-12-10(13(19)7-16)5-11(15(21)18-12)14(20)17-8-9-3-4-9/h5,9H,3-4,6-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 52897924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).