6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C23H22N4OS — CID 15956172

IUPAC6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCc1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)c1
InChIInChI=1S/C23H22N4OS/c1-16-12-22(29-14-16)17-2-7-21-20(13-17)23(25-15-24-21)26-18-3-5-19(6-4-18)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)
InChIKeyITIRBSCRPSPMII-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.25
Rot. Bonds4

About 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 15956172) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID15956172
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCc1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)c1
InChIInChI=1S/C23H22N4OS/c1-16-12-22(29-14-16)17-2-7-21-20(13-17)23(25-15-24-21)26-18-3-5-19(6-4-18)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)
InChIKeyITIRBSCRPSPMII-UHFFFAOYSA-N
XLogP5.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2525652
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
4-(2-Thiophen-2-ylquinazolin-4-yl)morpholine
CID 2570600
(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-thiophen-3-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 16736801
6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine
CID 71663851
N-(2-methoxyethyl)-6-(5-thiazolyl)-4-quinazolinamine
CID 118736871
3-[[6-Methyl-2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol
CID 166631340
N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2516616
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine
CID 2527472
5-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]thieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 2921859
N-(thiophen-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3232692
6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3233057

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 15956172) is 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is Cc1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)c1.
What is the InChIKey of 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is ITIRBSCRPSPMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-16-12-22(29-14-16)17-2-7-21-20(13-17)23(25-15-24-21)26-18-3-5-19(6-4-18)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3,(H,24,25,26).
What are the key properties of 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 402.52 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 15956172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).