2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C18H14BrN5S — CID 10201719

IUPAC2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3cccc(Br)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H14BrN5S/c1-11-9-16(24-23-11)21-17-14-7-2-3-8-15(14)20-18(22-17)25-13-6-4-5-12(19)10-13/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyLZAIDUUPFHPLPR-UHFFFAOYSA-N
MW412.32 g/mol
LogP5.32
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 10201719) has the molecular formula C18H14BrN5S and a molecular weight of 412.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID10201719
Molecular FormulaC18H14BrN5S
Molecular Weight412.32 g/mol
Exact Mass411.02
IUPAC Name2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(Sc3cccc(Br)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H14BrN5S/c1-11-9-16(24-23-11)21-17-14-7-2-3-8-15(14)20-18(22-17)25-13-6-4-5-12(19)10-13/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyLZAIDUUPFHPLPR-UHFFFAOYSA-N
XLogP5.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
CID 10134576
4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzaldehyde
CID 88927768
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 10200408
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356
methyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylbenzoate
CID 10222050
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
CID 10178621
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
2-(2,3-dihydrothiophen-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 70903295
2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
CID 154453023
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 123636824

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 10201719) is 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(Sc3cccc(Br)c3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is LZAIDUUPFHPLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5S/c1-11-9-16(24-23-11)21-17-14-7-2-3-8-15(14)20-18(22-17)25-13-6-4-5-12(19)10-13/h2-10H,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 412.32 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10201719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).