4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide

C18H18N2O — CID 101112912

IUPAC4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide
SMILESCc1nc(C(=O)NC(C)C)cc2c1ccc1ccccc12
InChIInChI=1S/C18H18N2O/c1-11(2)19-18(21)17-10-16-14(12(3)20-17)9-8-13-6-4-5-7-15(13)16/h4-11H,1-3H3,(H,19,21)
InChIKeyLIFYIZGJXNCXFG-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.83
Rot. Bonds2

About 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide

4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide (PubChem CID 101112912) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide
PubChem CID101112912
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide
SMILESCc1nc(C(=O)NC(C)C)cc2c1ccc1ccccc12
InChIInChI=1S/C18H18N2O/c1-11(2)19-18(21)17-10-16-14(12(3)20-17)9-8-13-6-4-5-7-15(13)16/h4-11H,1-3H3,(H,19,21)
InChIKeyLIFYIZGJXNCXFG-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide
CID 101005918
N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide
CID 15431591
1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide
CID 10925336
4-hydrazinyl-N-propan-2-ylquinoline-2-carboxamide
CID 63375107
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid
CID 154750746
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid
CID 91367914
5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 46087304
1-chloro-N-(4-methylpentan-2-yl)isoquinoline-3-carboxamide
CID 43372252

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide?
The IUPAC name of 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide (CID 101112912) is 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide.
What is the SMILES notation for 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide?
The canonical SMILES for 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide is Cc1nc(C(=O)NC(C)C)cc2c1ccc1ccccc12.
What is the InChIKey of 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide?
The InChIKey is LIFYIZGJXNCXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11(2)19-18(21)17-10-16-14(12(3)20-17)9-8-13-6-4-5-7-15(13)16/h4-11H,1-3H3,(H,19,21).
What are the key properties of 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide?
4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide is sourced from PubChem (CID 101112912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).