4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide

C20H17N5OS — CID 91963552

IUPAC4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C20H17N5OS/c21-18(26)13-7-9-14(10-8-13)23-20-24-17-6-2-1-5-16(17)19(25-20)22-12-15-4-3-11-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25)
InChIKeyIBTVDMNUVDDSBC-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.15
Rot. Bonds6

About 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide

4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide (PubChem CID 91963552) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
PubChem CID91963552
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C20H17N5OS/c21-18(26)13-7-9-14(10-8-13)23-20-24-17-6-2-1-5-16(17)19(25-20)22-12-15-4-3-11-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25)
InChIKeyIBTVDMNUVDDSBC-UHFFFAOYSA-N
XLogP4.15
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963526
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
2-N-(2,5-dichlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963566
4-methyl-2-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]phenol
CID 91963559
4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963705
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
4-N-(2-phenylethyl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963741
2-N-(3,4-dichlorophenyl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963837
4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide
CID 50944573
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
CID 11689305
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
CID 47113148

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide (CID 91963552) is 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide?
The InChIKey is IBTVDMNUVDDSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c21-18(26)13-7-9-14(10-8-13)23-20-24-17-6-2-1-5-16(17)19(25-20)22-12-15-4-3-11-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide?
4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide has a molecular weight of 375.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 91963552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).