N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide

C21H27N3O3 — CID 155567115

IUPACN-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NC[C@@]12CCCO[C@@H]1CCOC2
InChIInChI=1S/C21H27N3O3/c22-20-16(12-15-4-1-2-5-17(15)24-20)6-7-19(25)23-13-21-9-3-10-27-18(21)8-11-26-14-21/h1-2,4-5,12,18H,3,6-11,13-14H2,(H2,22,24)(H,23,25)/t18-,21-/m1/s1
InChIKeyQOQRRAFGOBMJCS-WIYYLYMNSA-N
MW369.47 g/mol
LogP2.45
Rot. Bonds5

About N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide

N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide (PubChem CID 155567115) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide
PubChem CID155567115
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide
SMILESNc1nc2ccccc2cc1CCC(=O)NC[C@@]12CCCO[C@@H]1CCOC2
InChIInChI=1S/C21H27N3O3/c22-20-16(12-15-4-1-2-5-17(15)24-20)6-7-19(25)23-13-21-9-3-10-27-18(21)8-11-26-14-21/h1-2,4-5,12,18H,3,6-11,13-14H2,(H2,22,24)(H,23,25)/t18-,21-/m1/s1
InChIKeyQOQRRAFGOBMJCS-WIYYLYMNSA-N
XLogP2.45
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide?
The IUPAC name of N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide (CID 155567115) is N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide.
What is the SMILES notation for N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide?
The canonical SMILES for N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide is Nc1nc2ccccc2cc1CCC(=O)NC[C@@]12CCCO[C@@H]1CCOC2.
What is the InChIKey of N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide?
The InChIKey is QOQRRAFGOBMJCS-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H27N3O3/c22-20-16(12-15-4-1-2-5-17(15)24-20)6-7-19(25)23-13-21-9-3-10-27-18(21)8-11-26-14-21/h1-2,4-5,12,18H,3,6-11,13-14H2,(H2,22,24)(H,23,25)/t18-,21-/m1/s1.
What are the key properties of N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide?
N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyran-4a-yl]methyl]-3-(2-aminoquinolin-3-yl)propanamide is sourced from PubChem (CID 155567115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).