N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C24H24N4 — CID 73051280

IUPACN-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
InChIInChI=1S/C24H24N4/c1-17-15-19-11-5-8-14-22(19)28(17)24-26-21-13-7-6-12-20(21)23(27-24)25-16-18-9-3-2-4-10-18/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27)
InChIKeyVDNCBZCZOBNUHZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.22
Rot. Bonds4

About N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 73051280) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID73051280
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
InChIInChI=1S/C24H24N4/c1-17-15-19-11-5-8-14-22(19)28(17)24-26-21-13-7-6-12-20(21)23(27-24)25-16-18-9-3-2-4-10-18/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27)
InChIKeyVDNCBZCZOBNUHZ-UHFFFAOYSA-N
XLogP5.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 73051280) is N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2.
What is the InChIKey of N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is VDNCBZCZOBNUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-17-15-19-11-5-8-14-22(19)28(17)24-26-21-13-7-6-12-20(21)23(27-24)25-16-18-9-3-2-4-10-18/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 368.48 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylindol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 73051280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).