2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide

C15H16N2O2 — CID 89158755

IUPAC2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide
SMILESCc1c(C(=O)NC(C)C)ccc2ccc(C=O)nc12
InChIInChI=1S/C15H16N2O2/c1-9(2)16-15(19)13-7-5-11-4-6-12(8-18)17-14(11)10(13)3/h4-9H,1-3H3,(H,16,19)
InChIKeyVZDXAVBMOIUIBM-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.49
Rot. Bonds3

About 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide

2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide (PubChem CID 89158755) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide.

Molecular Properties

Compound Name2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide
PubChem CID89158755
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide
SMILESCc1c(C(=O)NC(C)C)ccc2ccc(C=O)nc12
InChIInChI=1S/C15H16N2O2/c1-9(2)16-15(19)13-7-5-11-4-6-12(8-18)17-14(11)10(13)3/h4-9H,1-3H3,(H,16,19)
InChIKeyVZDXAVBMOIUIBM-UHFFFAOYSA-N
XLogP2.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
CID 130223984
(2-formylquinolin-8-yl)carbamic acid
CID 89350844
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
2-formyl-4-(2-phenylethynyl)-N-propan-2-ylbenzamide
CID 147850041
N,2-di(propan-2-yl)benzamide
CID 14972595
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
2-ethenyl-3-methyl-N-propan-2-ylbenzamide
CID 169452425
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
ethyl (2S)-2-[[9-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]propanoate
CID 10695509
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860

Frequently Asked Questions

What is the IUPAC name of 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide?
The IUPAC name of 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide (CID 89158755) is 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide.
What is the SMILES notation for 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide?
The canonical SMILES for 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide is Cc1c(C(=O)NC(C)C)ccc2ccc(C=O)nc12.
What is the InChIKey of 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide?
The InChIKey is VZDXAVBMOIUIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9(2)16-15(19)13-7-5-11-4-6-12(8-18)17-14(11)10(13)3/h4-9H,1-3H3,(H,16,19).
What are the key properties of 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide?
2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-8-methyl-N-propan-2-ylquinoline-7-carboxamide is sourced from PubChem (CID 89158755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).