N-heptan-4-yl-N-methylisoquinoline-1-carboxamide

C18H24N2O — CID 138509693

IUPACN-heptan-4-yl-N-methylisoquinoline-1-carboxamide
SMILESCCCC(CCC)N(C)C(=O)c1nccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-4-8-15(9-5-2)20(3)18(21)17-16-11-7-6-10-14(16)12-13-19-17/h6-7,10-13,15H,4-5,8-9H2,1-3H3
InChIKeyIUAIJNJUBUERKF-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.28
Rot. Bonds6

About N-heptan-4-yl-N-methylisoquinoline-1-carboxamide

N-heptan-4-yl-N-methylisoquinoline-1-carboxamide (PubChem CID 138509693) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-heptan-4-yl-N-methylisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-heptan-4-yl-N-methylisoquinoline-1-carboxamide
PubChem CID138509693
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-heptan-4-yl-N-methylisoquinoline-1-carboxamide
SMILESCCCC(CCC)N(C)C(=O)c1nccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-4-8-15(9-5-2)20(3)18(21)17-16-11-7-6-10-14(16)12-13-19-17/h6-7,10-13,15H,4-5,8-9H2,1-3H3
InChIKeyIUAIJNJUBUERKF-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide
CID 113337599
N-(2-aminopentyl)isoquinoline-1-carboxamide
CID 115737738
N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide
CID 63755212
N-(2-aminoethyl)-N-butylisoquinoline-1-carboxamide
CID 63753520
N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
CID 78918007
ethyl 3-isoquinolin-1-yl-2-methyl-3-oxopropanoate
CID 70696436
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
N-[(2R)-2-(dimethylamino)-2-phenylethyl]isoquinoline-1-carboxamide
CID 52821972
N-(2-chloropropyl)isoquinoline-1-carboxamide
CID 114296363
propan-2-yl isoquinoline-1-carboxylate
CID 57319572
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
isoquinoline-1-carboxamide;hydrochloride
CID 57458906

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-N-methylisoquinoline-1-carboxamide?
The IUPAC name of N-heptan-4-yl-N-methylisoquinoline-1-carboxamide (CID 138509693) is N-heptan-4-yl-N-methylisoquinoline-1-carboxamide.
What is the SMILES notation for N-heptan-4-yl-N-methylisoquinoline-1-carboxamide?
The canonical SMILES for N-heptan-4-yl-N-methylisoquinoline-1-carboxamide is CCCC(CCC)N(C)C(=O)c1nccc2ccccc12.
What is the InChIKey of N-heptan-4-yl-N-methylisoquinoline-1-carboxamide?
The InChIKey is IUAIJNJUBUERKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-8-15(9-5-2)20(3)18(21)17-16-11-7-6-10-14(16)12-13-19-17/h6-7,10-13,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-heptan-4-yl-N-methylisoquinoline-1-carboxamide?
N-heptan-4-yl-N-methylisoquinoline-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-N-methylisoquinoline-1-carboxamide is sourced from PubChem (CID 138509693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).