N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine

C20H19N5OS — CID 60507159

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine
SMILESc1csc(-c2nc(Nc3cnn(CC4CCCO4)c3)c3ccccc3n2)c1
InChIInChI=1S/C20H19N5OS/c1-2-7-17-16(6-1)19(24-20(23-17)18-8-4-10-27-18)22-14-11-21-25(12-14)13-15-5-3-9-26-15/h1-2,4,6-8,10-12,15H,3,5,9,13H2,(H,22,23,24)
InChIKeyNSJSAIJHHZGMMZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.48
Rot. Bonds5

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 60507159) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine
PubChem CID60507159
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine
SMILESc1csc(-c2nc(Nc3cnn(CC4CCCO4)c3)c3ccccc3n2)c1
InChIInChI=1S/C20H19N5OS/c1-2-7-17-16(6-1)19(24-20(23-17)18-8-4-10-27-18)22-14-11-21-25(12-14)13-15-5-3-9-26-15/h1-2,4,6-8,10-12,15H,3,5,9,13H2,(H,22,23,24)
InChIKeyNSJSAIJHHZGMMZ-UHFFFAOYSA-N
XLogP4.48
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine with MolForge

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Related Compounds

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061
2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279098
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
N-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 60507129
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 9268004
1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 71867121
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136521322
N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964365
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine (CID 60507159) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine is c1csc(-c2nc(Nc3cnn(CC4CCCO4)c3)c3ccccc3n2)c1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is NSJSAIJHHZGMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-2-7-17-16(6-1)19(24-20(23-17)18-8-4-10-27-18)22-14-11-21-25(12-14)13-15-5-3-9-26-15/h1-2,4,6-8,10-12,15H,3,5,9,13H2,(H,22,23,24).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 377.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 60507159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).