3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one

C26H37N7O3 — CID 656188

IUPAC3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C26H37N7O3/c1-35-23-9-8-20-16-21(26(34)27-24(20)17-23)18-32(11-5-10-31-12-14-36-15-13-31)19-25-28-29-30-33(25)22-6-3-2-4-7-22/h8-9,16-17,22H,2-7,10-15,18-19H2,1H3,(H,27,34)
InChIKeySWBVZEZOKMCZLC-UHFFFAOYSA-N
MW495.63 g/mol
LogP2.75
Rot. Bonds10

About 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one

3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 656188) has the molecular formula C26H37N7O3 and a molecular weight of 495.63 g/mol. Its IUPAC name is 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID656188
Molecular FormulaC26H37N7O3
Molecular Weight495.63 g/mol
Exact Mass495.30
IUPAC Name3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C26H37N7O3/c1-35-23-9-8-20-16-21(26(34)27-24(20)17-23)18-32(11-5-10-31-12-14-36-15-13-31)19-25-28-29-30-33(25)22-6-3-2-4-7-22/h8-9,16-17,22H,2-7,10-15,18-19H2,1H3,(H,27,34)
InChIKeySWBVZEZOKMCZLC-UHFFFAOYSA-N
XLogP2.75
TPSA101.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one 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 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one (CID 656188) is 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is SWBVZEZOKMCZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O3/c1-35-23-9-8-20-16-21(26(34)27-24(20)17-23)18-32(11-5-10-31-12-14-36-15-13-31)19-25-28-29-30-33(25)22-6-3-2-4-7-22/h8-9,16-17,22H,2-7,10-15,18-19H2,1H3,(H,27,34).
What are the key properties of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 495.63 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 656188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).