N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide

C19H24N2O3 — CID 24804059

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide
SMILESCn1ccc2c(C(=O)NCC3(O)CCCCCC3)cccc2c1=O
InChIInChI=1S/C19H24N2O3/c1-21-12-9-14-15(7-6-8-16(14)18(21)23)17(22)20-13-19(24)10-4-2-3-5-11-19/h6-9,12,24H,2-5,10-11,13H2,1H3,(H,20,22)
InChIKeyBTCNUJHPLIWKDM-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.35
Rot. Bonds3

About N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide

N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide (PubChem CID 24804059) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide
PubChem CID24804059
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide
SMILESCn1ccc2c(C(=O)NCC3(O)CCCCCC3)cccc2c1=O
InChIInChI=1S/C19H24N2O3/c1-21-12-9-14-15(7-6-8-16(14)18(21)23)17(22)20-13-19(24)10-4-2-3-5-11-19/h6-9,12,24H,2-5,10-11,13H2,1H3,(H,20,22)
InChIKeyBTCNUJHPLIWKDM-UHFFFAOYSA-N
XLogP2.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide (CID 24804059) is N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide is Cn1ccc2c(C(=O)NCC3(O)CCCCCC3)cccc2c1=O.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide?
The InChIKey is BTCNUJHPLIWKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21-12-9-14-15(7-6-8-16(14)18(21)23)17(22)20-13-19(24)10-4-2-3-5-11-19/h6-9,12,24H,2-5,10-11,13H2,1H3,(H,20,22).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-methyl-1-oxoisoquinoline-5-carboxamide is sourced from PubChem (CID 24804059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).