1-(furan-3-ylmethyl)-3-quinolin-8-ylurea

C15H13N3O2 — CID 47219536

IUPAC1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
SMILESO=C(NCc1ccoc1)Nc1cccc2cccnc12
InChIInChI=1S/C15H13N3O2/c19-15(17-9-11-6-8-20-10-11)18-13-5-1-3-12-4-2-7-16-14(12)13/h1-8,10H,9H2,(H2,17,18,19)
InChIKeyNNBAGINYLYXQFR-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.15
Rot. Bonds3

About 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea

1-(furan-3-ylmethyl)-3-quinolin-8-ylurea (PubChem CID 47219536) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
PubChem CID47219536
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
SMILESO=C(NCc1ccoc1)Nc1cccc2cccnc12
InChIInChI=1S/C15H13N3O2/c19-15(17-9-11-6-8-20-10-11)18-13-5-1-3-12-4-2-7-16-14(12)13/h1-8,10H,9H2,(H2,17,18,19)
InChIKeyNNBAGINYLYXQFR-UHFFFAOYSA-N
XLogP3.15
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
2-[2-(furan-3-ylmethylcarbamoylamino)phenyl]acetamide
CID 47039420
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
CID 47038823
1-(4-hydroxy-2,2-dimethylpentyl)-3-quinolin-8-ylurea
CID 111473382
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
1-benzyl-3-quinolin-8-ylthiourea
CID 8655123
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214114

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea (CID 47219536) is 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea is O=C(NCc1ccoc1)Nc1cccc2cccnc12.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea?
The InChIKey is NNBAGINYLYXQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(17-9-11-6-8-20-10-11)18-13-5-1-3-12-4-2-7-16-14(12)13/h1-8,10H,9H2,(H2,17,18,19).
What are the key properties of 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea?
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea has a molecular weight of 267.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-quinolin-8-ylurea is sourced from PubChem (CID 47219536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).