N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine

C22H17N5S — CID 10134576

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C22H17N5S/c1-14-12-20(27-26-14)24-21-18-8-4-5-9-19(18)23-22(25-21)28-17-11-10-15-6-2-3-7-16(15)13-17/h2-13H,1H3,(H2,23,24,25,26,27)
InChIKeyPNPJKSYXKMALSP-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.71
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine (PubChem CID 10134576) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
PubChem CID10134576
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C22H17N5S/c1-14-12-20(27-26-14)24-21-18-8-4-5-9-19(18)23-22(25-21)28-17-11-10-15-6-2-3-7-16(15)13-17/h2-13H,1H3,(H2,23,24,25,26,27)
InChIKeyPNPJKSYXKMALSP-UHFFFAOYSA-N
XLogP5.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine (CID 10134576) is N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine is Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine?
The InChIKey is PNPJKSYXKMALSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S/c1-14-12-20(27-26-14)24-21-18-8-4-5-9-19(18)23-22(25-21)28-17-11-10-15-6-2-3-7-16(15)13-17/h2-13H,1H3,(H2,23,24,25,26,27).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine has a molecular weight of 383.48 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine is sourced from PubChem (CID 10134576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).