1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride

C18H15ClN4O2 — CID 18475580

IUPAC1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride
SMILESCc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1.Cl
InChIInChI=1S/C18H14N4O2.ClH/c1-11-20-16-7-6-12(10-17(16)24-11)21-18(23)22-15-8-9-19-14-5-3-2-4-13(14)15;/h2-10H,1H3,(H2,19,21,22,23);1H
InChIKeySKPIKRCCVJBNIL-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.75
Rot. Bonds2

About 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride

1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride (PubChem CID 18475580) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride
PubChem CID18475580
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride
SMILESCc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1.Cl
InChIInChI=1S/C18H14N4O2.ClH/c1-11-20-16-7-6-12(10-17(16)24-11)21-18(23)22-15-8-9-19-14-5-3-2-4-13(14)15;/h2-10H,1H3,(H2,19,21,22,23);1H
InChIKeySKPIKRCCVJBNIL-UHFFFAOYSA-N
XLogP4.75
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinolin-4-yl-3-quinolin-6-ylurea
CID 18475500
1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride
CID 18475688
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
1-(3-ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea
CID 18475499
2-hydroxy-N-(2-methyl-1,3-benzoxazol-6-yl)-2-phenylacetamide
CID 111536513
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842897
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride?
The IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride (CID 18475580) is 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride.
What is the SMILES notation for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride?
The canonical SMILES for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride is Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1.Cl.
What is the InChIKey of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride?
The InChIKey is SKPIKRCCVJBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2.ClH/c1-11-20-16-7-6-12(10-17(16)24-11)21-18(23)22-15-8-9-19-14-5-3-2-4-13(14)15;/h2-10H,1H3,(H2,19,21,22,23);1H.
What are the key properties of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride?
1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea;hydrochloride is sourced from PubChem (CID 18475580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).