1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea

C22H23N3O — CID 67473132

IUPAC1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3cccnc3c2)c1
InChIInChI=1S/C22H23N3O/c1-15(2)17-7-5-9-18(13-17)22(3,4)25-21(26)24-19-11-10-16-8-6-12-23-20(16)14-19/h5-14H,1H2,2-4H3,(H2,24,25,26)
InChIKeyJLXUUGWMXGRFPB-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.32
Rot. Bonds4

About 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea

1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea (PubChem CID 67473132) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea.

Molecular Properties

Compound Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea
PubChem CID67473132
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3cccnc3c2)c1
InChIInChI=1S/C22H23N3O/c1-15(2)17-7-5-9-18(13-17)22(3,4)25-21(26)24-19-11-10-16-8-6-12-23-20(16)14-19/h5-14H,1H2,2-4H3,(H2,24,25,26)
InChIKeyJLXUUGWMXGRFPB-UHFFFAOYSA-N
XLogP5.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea?
The IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea (CID 67473132) is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea.
What is the SMILES notation for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea?
The canonical SMILES for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3cccnc3c2)c1.
What is the InChIKey of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea?
The InChIKey is JLXUUGWMXGRFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15(2)17-7-5-9-18(13-17)22(3,4)25-21(26)24-19-11-10-16-8-6-12-23-20(16)14-19/h5-14H,1H2,2-4H3,(H2,24,25,26).
What are the key properties of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea?
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea has a molecular weight of 345.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea is sourced from PubChem (CID 67473132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).