N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine

C21H19N3S — CID 2579035

IUPACN-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1ccc(CCCNc2nc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C21H19N3S/c1-2-8-16(9-3-1)10-6-14-22-20-17-11-4-5-12-18(17)23-21(24-20)19-13-7-15-25-19/h1-5,7-9,11-13,15H,6,10,14H2,(H,22,23,24)
InChIKeyCIWACBSNNZNCJK-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.40
Rot. Bonds6

About N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine

N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 2579035) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID2579035
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC NameN-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1ccc(CCCNc2nc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C21H19N3S/c1-2-8-16(9-3-1)10-6-14-22-20-17-11-4-5-12-18(17)23-21(24-20)19-13-7-15-25-19/h1-5,7-9,11-13,15H,6,10,14H2,(H,22,23,24)
InChIKeyCIWACBSNNZNCJK-UHFFFAOYSA-N
XLogP5.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
6-[(2-thiophen-2-ylquinazolin-4-yl)amino]hexanoic acid
CID 91964437
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol
CID 19392297
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
2-(3-bromophenyl)-N-(3-phenylpropyl)quinazolin-4-amine
CID 46086052
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine (CID 2579035) is N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine is c1ccc(CCCNc2nc(-c3cccs3)nc3ccccc23)cc1.
What is the InChIKey of N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is CIWACBSNNZNCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-2-8-16(9-3-1)10-6-14-22-20-17-11-4-5-12-18(17)23-21(24-20)19-13-7-15-25-19/h1-5,7-9,11-13,15H,6,10,14H2,(H,22,23,24).
What are the key properties of N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 345.47 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 2579035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).