N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide

C16H19N3O — CID 62170487

IUPACN-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2c(NC)n1)C1CC1
InChIInChI=1S/C16H19N3O/c1-3-19(12-8-9-12)16(20)14-10-11-6-4-5-7-13(11)15(17-2)18-14/h4-7,10,12H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyMIZSEVGSLDZJEQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.90
Rot. Bonds4

About N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide

N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide (PubChem CID 62170487) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
PubChem CID62170487
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2c(NC)n1)C1CC1
InChIInChI=1S/C16H19N3O/c1-3-19(12-8-9-12)16(20)14-10-11-6-4-5-7-13(11)15(17-2)18-14/h4-7,10,12H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyMIZSEVGSLDZJEQ-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide (CID 62170487) is N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide is CCN(C(=O)c1cc2ccccc2c(NC)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide?
The InChIKey is MIZSEVGSLDZJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(12-8-9-12)16(20)14-10-11-6-4-5-7-13(11)15(17-2)18-14/h4-7,10,12H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide?
N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide is sourced from PubChem (CID 62170487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).