N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C19H29N3O3 — CID 119598133

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C19H29N3O3/c1-11(2)7-19(5,10-20)22-17(25)13-6-12-14(21-16(13)24)8-18(3,4)9-15(12)23/h6,11H,7-10,20H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyZGOLTQDDVJBCFA-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.02
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 119598133) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID119598133
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C19H29N3O3/c1-11(2)7-19(5,10-20)22-17(25)13-6-12-14(21-16(13)24)8-18(3,4)9-15(12)23/h6,11H,7-10,20H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyZGOLTQDDVJBCFA-UHFFFAOYSA-N
XLogP2.02
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 119598133) is N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC(C)CC(C)(CN)NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is ZGOLTQDDVJBCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-11(2)7-19(5,10-20)22-17(25)13-6-12-14(21-16(13)24)8-18(3,4)9-15(12)23/h6,11H,7-10,20H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 119598133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).