N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine

C22H21N5 — CID 172802990

IUPACN-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1ccc(CNc2nc(-n3ncc4ccccc43)nc3c2CCCC3)cc1
InChIInChI=1S/C22H21N5/c1-2-8-16(9-3-1)14-23-21-18-11-5-6-12-19(18)25-22(26-21)27-20-13-7-4-10-17(20)15-24-27/h1-4,7-10,13,15H,5-6,11-12,14H2,(H,23,25,26)
InChIKeyRCVIUWXBMFIBSF-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.31
Rot. Bonds4

About N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine

N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 172802990) has the molecular formula C22H21N5 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID172802990
Molecular FormulaC22H21N5
Molecular Weight355.44 g/mol
Exact Mass355.18
IUPAC NameN-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1ccc(CNc2nc(-n3ncc4ccccc43)nc3c2CCCC3)cc1
InChIInChI=1S/C22H21N5/c1-2-8-16(9-3-1)14-23-21-18-11-5-6-12-19(18)25-22(26-21)27-20-13-7-4-10-17(20)15-24-27/h1-4,7-10,13,15H,5-6,11-12,14H2,(H,23,25,26)
InChIKeyRCVIUWXBMFIBSF-UHFFFAOYSA-N
XLogP4.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 172802990) is N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine is c1ccc(CNc2nc(-n3ncc4ccccc43)nc3c2CCCC3)cc1.
What is the InChIKey of N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is RCVIUWXBMFIBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-8-16(9-3-1)14-23-21-18-11-5-6-12-19(18)25-22(26-21)27-20-13-7-4-10-17(20)15-24-27/h1-4,7-10,13,15H,5-6,11-12,14H2,(H,23,25,26).
What are the key properties of N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 172802990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).