N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide

C27H34N4O4 — CID 72793856

IUPACN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)o1
InChIInChI=1S/C27H34N4O4/c1-4-20(32)11-6-5-7-13-23(29-25(33)19-16-31(2)17-19)27-28-15-24(35-27)21-14-18-10-8-9-12-22(18)30-26(21)34-3/h8-10,12,14-15,19,23H,4-7,11,13,16-17H2,1-3H3,(H,29,33)/t23-/m0/s1
InChIKeyYOCBGMVQRJHNRU-QHCPKHFHSA-N
MW478.59 g/mol
LogP4.55
Rot. Bonds12

About N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide

N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide (PubChem CID 72793856) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
PubChem CID72793856
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)o1
InChIInChI=1S/C27H34N4O4/c1-4-20(32)11-6-5-7-13-23(29-25(33)19-16-31(2)17-19)27-28-15-24(35-27)21-14-18-10-8-9-12-22(18)30-26(21)34-3/h8-10,12,14-15,19,23H,4-7,11,13,16-17H2,1-3H3,(H,29,33)/t23-/m0/s1
InChIKeyYOCBGMVQRJHNRU-QHCPKHFHSA-N
XLogP4.55
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide 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-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide (CID 72793856) is N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)o1.
What is the InChIKey of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide?
The InChIKey is YOCBGMVQRJHNRU-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-4-20(32)11-6-5-7-13-23(29-25(33)19-16-31(2)17-19)27-28-15-24(35-27)21-14-18-10-8-9-12-22(18)30-26(21)34-3/h8-10,12,14-15,19,23H,4-7,11,13,16-17H2,1-3H3,(H,29,33)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide?
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 4.55, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide is sourced from PubChem (CID 72793856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).