N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine

C25H26N4OS — CID 15956196

IUPACN-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine
SMILESCC(C)N(c1ccc(N2CCOCC2)cc1)c1ncnc2ccc(-c3cccs3)cc12
InChIInChI=1S/C25H26N4OS/c1-18(2)29(21-8-6-20(7-9-21)28-11-13-30-14-12-28)25-22-16-19(24-4-3-15-31-24)5-10-23(22)26-17-27-25/h3-10,15-18H,11-14H2,1-2H3
InChIKeyOGNMUCGMRXQBSV-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.74
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine

N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine (PubChem CID 15956196) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine
PubChem CID15956196
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC NameN-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine
SMILESCC(C)N(c1ccc(N2CCOCC2)cc1)c1ncnc2ccc(-c3cccs3)cc12
InChIInChI=1S/C25H26N4OS/c1-18(2)29(21-8-6-20(7-9-21)28-11-13-30-14-12-28)25-22-16-19(24-4-3-15-31-24)5-10-23(22)26-17-27-25/h3-10,15-18H,11-14H2,1-2H3
InChIKeyOGNMUCGMRXQBSV-UHFFFAOYSA-N
XLogP5.74
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.74
H-Bond Donors ≤ 50
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-(3-methylbutyl)-N-(4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine
CID 15956197
4-(7-thiophen-2-ylquinazolin-4-yl)morpholine
CID 123590034
6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 15956172
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 68878121
4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
CID 170641265
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine
CID 167798321
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895886
4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane
CID 142527672
1-[5-(4-morpholin-4-ylquinazolin-6-yl)furan-2-yl]ethanol
CID 46916200
4-[4-(3-fluoro-5-morpholin-4-ylphenyl)quinazolin-6-yl]pyridin-2-amine
CID 170641216
6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline
CID 133307459

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine (CID 15956196) is N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine is CC(C)N(c1ccc(N2CCOCC2)cc1)c1ncnc2ccc(-c3cccs3)cc12.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine?
The InChIKey is OGNMUCGMRXQBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-18(2)29(21-8-6-20(7-9-21)28-11-13-30-14-12-28)25-22-16-19(24-4-3-15-31-24)5-10-23(22)26-17-27-25/h3-10,15-18H,11-14H2,1-2H3.
What are the key properties of N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine?
N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine has a molecular weight of 430.58 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 15956196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).