2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine

C24H21N7 — CID 15294417

IUPAC2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine
SMILESCCc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1
InChIInChI=1S/C24H21N7/c1-2-22-26-21-10-6-5-9-20(21)23(27-22)25-15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)24-28-30-31-29-24/h3-14H,2,15H2,1H3,(H,25,26,27)(H,28,29,30,31)
InChIKeyYXOFHDKVTPPXQP-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.65
Rot. Bonds6

About 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine

2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine (PubChem CID 15294417) has the molecular formula C24H21N7 and a molecular weight of 407.48 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine
PubChem CID15294417
Molecular FormulaC24H21N7
Molecular Weight407.48 g/mol
Exact Mass407.19
IUPAC Name2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine
SMILESCCc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1
InChIInChI=1S/C24H21N7/c1-2-22-26-21-10-6-5-9-20(21)23(27-22)25-15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)24-28-30-31-29-24/h3-14H,2,15H2,1H3,(H,25,26,27)(H,28,29,30,31)
InChIKeyYXOFHDKVTPPXQP-UHFFFAOYSA-N
XLogP4.65
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine (CID 15294417) is 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine is CCc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine?
The InChIKey is YXOFHDKVTPPXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7/c1-2-22-26-21-10-6-5-9-20(21)23(27-22)25-15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)24-28-30-31-29-24/h3-14H,2,15H2,1H3,(H,25,26,27)(H,28,29,30,31).
What are the key properties of 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine?
2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine has a molecular weight of 407.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 15294417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).