5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine

C18H15ClN4O — CID 62706330

IUPAC5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
SMILESCCNc1nc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1
InChIInChI=1S/C18H15ClN4O/c1-2-20-18-23-16-10-12(4-6-17(16)24-18)22-14-7-8-21-15-9-11(19)3-5-13(14)15/h3-10H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyFXYVCQGCVWGDPN-UHFFFAOYSA-N
MW338.80 g/mol
LogP5.20
Rot. Bonds4

About 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine

5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine (PubChem CID 62706330) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
PubChem CID62706330
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
SMILESCCNc1nc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1
InChIInChI=1S/C18H15ClN4O/c1-2-20-18-23-16-10-12(4-6-17(16)24-18)22-14-7-8-21-15-9-11(19)3-5-13(14)15/h3-10H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyFXYVCQGCVWGDPN-UHFFFAOYSA-N
XLogP5.20
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.80
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-[(7-Amino-1,3-benzoxazol-2-yl)amino]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carbonyl]amino]pyridine-4-carboxylic acid
CID 156899025
2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
CID 1069526
N-[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]nicotinamide
CID 3237075
5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
CID 10067562
N-[2-(3-chlorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10069053
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine
CID 10339604
N-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10453089
2-[[4-(1,3-Benzoxazol-2-yl)piperazin-1-yl]methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol
CID 44613355
N5-(7-chloro-4-quinolyl)-N2-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazole-2,5-diamine
CID 62706331
2-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-2,5-diamine
CID 113252206
1-[3-[[5-[(7-Chloroquinolin-4-yl)amino]-1,3-benzoxazol-2-yl]amino]propyl]pyrrolidin-2-one
CID 122185660
5-N-(7-chloroquinolin-4-yl)-2-N-(2-piperidin-1-ylethyl)-1,3-benzoxazole-2,5-diamine
CID 122185661

Frequently Asked Questions

What is the IUPAC name of 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine (CID 62706330) is 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine is CCNc1nc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1.
What is the InChIKey of 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The InChIKey is FXYVCQGCVWGDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-2-20-18-23-16-10-12(4-6-17(16)24-18)22-14-7-8-21-15-9-11(19)3-5-13(14)15/h3-10H,2H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine has a molecular weight of 338.80 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(7-chloroquinolin-4-yl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 62706330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).