1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea

C24H23N5OS — CID 60570235

IUPAC1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1
InChIInChI=1S/C24H23N5OS/c30-24(25-18-6-2-1-3-7-18)26-19-10-13-29(14-11-19)23-20-8-4-5-9-21(20)27-22(28-23)17-12-15-31-16-17/h1-9,12,15-16,19H,10-11,13-14H2,(H2,25,26,30)
InChIKeyFYYPVWGOLZZJMU-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.15
Rot. Bonds4

About 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea

1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea (PubChem CID 60570235) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
PubChem CID60570235
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1
InChIInChI=1S/C24H23N5OS/c30-24(25-18-6-2-1-3-7-18)26-19-10-13-29(14-11-19)23-20-8-4-5-9-21(20)27-22(28-23)17-12-15-31-16-17/h1-9,12,15-16,19H,10-11,13-14H2,(H2,25,26,30)
InChIKeyFYYPVWGOLZZJMU-UHFFFAOYSA-N
XLogP5.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 49431387
N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
CID 91648209
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
CID 133280022
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
CID 128985624
1-[(3S)-1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100676372
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133458583
1-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-3-phenylurea
CID 86946136
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133335933
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922
N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
CID 143198414

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea?
The IUPAC name of 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea (CID 60570235) is 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea is O=C(Nc1ccccc1)NC1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1.
What is the InChIKey of 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea?
The InChIKey is FYYPVWGOLZZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c30-24(25-18-6-2-1-3-7-18)26-19-10-13-29(14-11-19)23-20-8-4-5-9-21(20)27-22(28-23)17-12-15-31-16-17/h1-9,12,15-16,19H,10-11,13-14H2,(H2,25,26,30).
What are the key properties of 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea?
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea has a molecular weight of 429.55 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 60570235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).