(Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol

C20H17N3OS — CID 163436843

IUPAC(Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol
SMILESO/C(=C(/CC1CC1)c1nc2ccccc2c2nccn12)c1cccs1
InChIInChI=1S/C20H17N3OS/c24-18(17-6-3-11-25-17)15(12-13-7-8-13)20-22-16-5-2-1-4-14(16)19-21-9-10-23(19)20/h1-6,9-11,13,24H,7-8,12H2/b18-15-
InChIKeyAVFFNBPBQBRZPI-SDXDJHTJSA-N
MW347.44 g/mol
LogP5.17
Rot. Bonds4

About (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol

(Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol (PubChem CID 163436843) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol
PubChem CID163436843
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name(Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol
SMILESO/C(=C(/CC1CC1)c1nc2ccccc2c2nccn12)c1cccs1
InChIInChI=1S/C20H17N3OS/c24-18(17-6-3-11-25-17)15(12-13-7-8-13)20-22-16-5-2-1-4-14(16)19-21-9-10-23(19)20/h1-6,9-11,13,24H,7-8,12H2/b18-15-
InChIKeyAVFFNBPBQBRZPI-SDXDJHTJSA-N
XLogP5.17
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[(5-Thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
CID 11347373
3-[6-(2-Thienyl)imidazo [1,2-a]pyrazin-3-yl]phenol
CID 117769781
4-[3-(3-Thienyl)imidazo [1,2-a]pyrazin-6-yl]phenol
CID 126673302
4-Imidazol-1-yl-2-thiophen-3-ylquinazoline
CID 17392212
[5-(1-Phenylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134142080
[5-(1-Pyridin-4-ylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134149171
[4-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155538840
[4-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155554723
4-[3-(2-Thienyl)imidazo [1,2-a]pyrazin-6-yl]phenol
CID 117769495
[9-(Thiophen-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028806
[9-(Thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028807
15-Methyl-9-thiophen-2-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 172448005

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol?
The IUPAC name of (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol (CID 163436843) is (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol.
What is the SMILES notation for (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol?
The canonical SMILES for (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol is O/C(=C(/CC1CC1)c1nc2ccccc2c2nccn12)c1cccs1.
What is the InChIKey of (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol?
The InChIKey is AVFFNBPBQBRZPI-SDXDJHTJSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-18(17-6-3-11-25-17)15(12-13-7-8-13)20-22-16-5-2-1-4-14(16)19-21-9-10-23(19)20/h1-6,9-11,13,24H,7-8,12H2/b18-15-.
What are the key properties of (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol?
(Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol has a molecular weight of 347.44 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-2-imidazo[1,2-c]quinazolin-5-yl-1-thiophen-2-ylprop-1-en-1-ol is sourced from PubChem (CID 163436843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).