(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C19H23N3O — CID 86294063

IUPAC(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc2n1
InChIInChI=1S/C19H23N3O/c1-11-8-15(12-6-4-5-7-16(12)21-11)19(2,3)22-18(23)17-13-9-20-10-14(13)17/h4-8,13-14,17,20H,9-10H2,1-3H3,(H,22,23)/t13-,14+,17?
InChIKeyKRKSDMTXTRGCQE-VMZNBEPHSA-N
MW309.41 g/mol
LogP2.36
Rot. Bonds3

About (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86294063) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86294063
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc2n1
InChIInChI=1S/C19H23N3O/c1-11-8-15(12-6-4-5-7-16(12)21-11)19(2,3)22-18(23)17-13-9-20-10-14(13)17/h4-8,13-14,17,20H,9-10H2,1-3H3,(H,22,23)/t13-,14+,17?
InChIKeyKRKSDMTXTRGCQE-VMZNBEPHSA-N
XLogP2.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86294063) is (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cc1cc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc2n1.
What is the InChIKey of (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is KRKSDMTXTRGCQE-VMZNBEPHSA-N. The full InChI is InChI=1S/C19H23N3O/c1-11-8-15(12-6-4-5-7-16(12)21-11)19(2,3)22-18(23)17-13-9-20-10-14(13)17/h4-8,13-14,17,20H,9-10H2,1-3H3,(H,22,23)/t13-,14+,17?.
What are the key properties of (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86294063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).