N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine

C27H23N3S — CID 121377415

IUPACN-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1ccc(C(CCNc2nc(-c3cccs3)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C27H23N3S/c1-3-10-20(11-4-1)22(21-12-5-2-6-13-21)17-18-28-26-23-14-7-8-15-24(23)29-27(30-26)25-16-9-19-31-25/h1-16,19,22H,17-18H2,(H,28,29,30)
InChIKeyQLNPARSQIWLRHI-UHFFFAOYSA-N
MW421.57 g/mol
LogP6.99
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine

N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 121377415) has the molecular formula C27H23N3S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID121377415
Molecular FormulaC27H23N3S
Molecular Weight421.57 g/mol
Exact Mass421.16
IUPAC NameN-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1ccc(C(CCNc2nc(-c3cccs3)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C27H23N3S/c1-3-10-20(11-4-1)22(21-12-5-2-6-13-21)17-18-28-26-23-14-7-8-15-24(23)29-27(30-26)25-16-9-19-31-25/h1-16,19,22H,17-18H2,(H,28,29,30)
InChIKeyQLNPARSQIWLRHI-UHFFFAOYSA-N
XLogP6.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
6-[(2-thiophen-2-ylquinazolin-4-yl)amino]hexanoic acid
CID 91964437
2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol
CID 19392297
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea
CID 42809298
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 4827480
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
2-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanol
CID 133281392
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 24590562

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine (CID 121377415) is N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine is c1ccc(C(CCNc2nc(-c3cccs3)nc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is QLNPARSQIWLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3S/c1-3-10-20(11-4-1)22(21-12-5-2-6-13-21)17-18-28-26-23-14-7-8-15-24(23)29-27(30-26)25-16-9-19-31-25/h1-16,19,22H,17-18H2,(H,28,29,30).
What are the key properties of N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 421.57 g/mol, XLogP of 6.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 121377415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).