N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C18H21N3O4 — CID 128528204

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)o1
InChIInChI=1S/C18H21N3O4/c1-9-15(25-10(2)20-9)8-19-16(23)12-5-11-13(21-17(12)24)6-18(3,4)7-14(11)22/h5H,6-8H2,1-4H3,(H,19,23)(H,21,24)
InChIKeyBOKWNKYFYLONCM-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.06
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 128528204) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID128528204
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)o1
InChIInChI=1S/C18H21N3O4/c1-9-15(25-10(2)20-9)8-19-16(23)12-5-11-13(21-17(12)24)6-18(3,4)7-14(11)22/h5H,6-8H2,1-4H3,(H,19,23)(H,21,24)
InChIKeyBOKWNKYFYLONCM-UHFFFAOYSA-N
XLogP2.06
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 128528204) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is Cc1nc(C)c(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is BOKWNKYFYLONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-9-15(25-10(2)20-9)8-19-16(23)12-5-11-13(21-17(12)24)6-18(3,4)7-14(11)22/h5H,6-8H2,1-4H3,(H,19,23)(H,21,24).
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 128528204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).