1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea

C18H18N4O3 — CID 154770302

IUPAC1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)NCc2noc3c2COCC3)c2ccccc2n1
InChIInChI=1S/C18H18N4O3/c1-11-8-15(12-4-2-3-5-14(12)20-11)21-18(23)19-9-16-13-10-24-7-6-17(13)25-22-16/h2-5,8H,6-7,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyWNIAYMFWYHVMHO-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.93
Rot. Bonds3

About 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea

1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 154770302) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea
PubChem CID154770302
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cc(NC(=O)NCc2noc3c2COCC3)c2ccccc2n1
InChIInChI=1S/C18H18N4O3/c1-11-8-15(12-4-2-3-5-14(12)20-11)21-18(23)19-9-16-13-10-24-7-6-17(13)25-22-16/h2-5,8H,6-7,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyWNIAYMFWYHVMHO-UHFFFAOYSA-N
XLogP2.93
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea with MolForge

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Related Compounds

1-(1,2-benzothiazol-3-yl)-3-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)urea
CID 167958131
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea
CID 167787672
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(5-ethyl-2-pyridinyl)urea
CID 138026074
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-[4-[(dimethylamino)methyl]-2-pyridinyl]urea
CID 138025925
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-[5-(methoxymethyl)-1,3-thiazol-2-yl]urea
CID 138025312
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea (CID 154770302) is 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea is Cc1cc(NC(=O)NCc2noc3c2COCC3)c2ccccc2n1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is WNIAYMFWYHVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-8-15(12-4-2-3-5-14(12)20-11)21-18(23)19-9-16-13-10-24-7-6-17(13)25-22-16/h2-5,8H,6-7,9-10H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea?
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea has a molecular weight of 338.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 154770302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).