6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C22H22N4S — CID 3233057

IUPAC6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCN(C)Cc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1
InChIInChI=1S/C22H22N4S/c1-26(2)14-17-6-3-4-8-19(17)16-9-10-21-20(12-16)22(25-15-24-21)23-13-18-7-5-11-27-18/h3-12,15H,13-14H2,1-2H3,(H,23,24,25)
InChIKeyNWZJEZPVYHKSJS-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.03
Rot. Bonds6

About 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine

6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 3233057) has the molecular formula C22H22N4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID3233057
Molecular FormulaC22H22N4S
Molecular Weight374.51 g/mol
Exact Mass374.16
IUPAC Name6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCN(C)Cc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1
InChIInChI=1S/C22H22N4S/c1-26(2)14-17-6-3-4-8-19(17)16-9-10-21-20(12-16)22(25-15-24-21)23-13-18-7-5-11-27-18/h3-12,15H,13-14H2,1-2H3,(H,23,24,25)
InChIKeyNWZJEZPVYHKSJS-UHFFFAOYSA-N
XLogP5.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 3233057) is 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine is CN(C)Cc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is NWZJEZPVYHKSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4S/c1-26(2)14-17-6-3-4-8-19(17)16-9-10-21-20(12-16)22(25-15-24-21)23-13-18-7-5-11-27-18/h3-12,15H,13-14H2,1-2H3,(H,23,24,25).
What are the key properties of 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 374.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]phenyl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3233057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).