N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine

C23H30N6 — CID 131670697

IUPACN-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCN1CCN(c2ncc3c(n2)CCC(NCc2cn(C)c4ccccc24)C3)CC1
InChIInChI=1S/C23H30N6/c1-27-9-11-29(12-10-27)23-25-14-17-13-19(7-8-21(17)26-23)24-15-18-16-28(2)22-6-4-3-5-20(18)22/h3-6,14,16,19,24H,7-13,15H2,1-2H3
InChIKeyQXCYRQVPCOUFPR-UHFFFAOYSA-N
MW390.54 g/mol
LogP2.37
Rot. Bonds4

About N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine

N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine (PubChem CID 131670697) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine
PubChem CID131670697
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC NameN-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCN1CCN(c2ncc3c(n2)CCC(NCc2cn(C)c4ccccc24)C3)CC1
InChIInChI=1S/C23H30N6/c1-27-9-11-29(12-10-27)23-25-14-17-13-19(7-8-21(17)26-23)24-15-18-16-28(2)22-6-4-3-5-20(18)22/h3-6,14,16,19,24H,7-13,15H2,1-2H3
InChIKeyQXCYRQVPCOUFPR-UHFFFAOYSA-N
XLogP2.37
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine (CID 131670697) is N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine is CN1CCN(c2ncc3c(n2)CCC(NCc2cn(C)c4ccccc24)C3)CC1.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine?
The InChIKey is QXCYRQVPCOUFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-27-9-11-29(12-10-27)23-25-14-17-13-19(7-8-21(17)26-23)24-15-18-16-28(2)22-6-4-3-5-20(18)22/h3-6,14,16,19,24H,7-13,15H2,1-2H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine?
N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine has a molecular weight of 390.54 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-amine is sourced from PubChem (CID 131670697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).