N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide

C17H14N4OS — CID 49430506

IUPACN-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
SMILESC#CCNC(=O)CNc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C17H14N4OS/c1-2-8-18-15(22)10-19-17-13-5-3-4-6-14(13)20-16(21-17)12-7-9-23-11-12/h1,3-7,9,11H,8,10H2,(H,18,22)(H,19,20,21)
InChIKeyDPDDVFBTKXVOQP-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.52
Rot. Bonds5

About N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide

N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide (PubChem CID 49430506) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
PubChem CID49430506
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
SMILESC#CCNC(=O)CNc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C17H14N4OS/c1-2-8-18-15(22)10-19-17-13-5-3-4-6-14(13)20-16(21-17)12-7-9-23-11-12/h1,3-7,9,11H,8,10H2,(H,18,22)(H,19,20,21)
InChIKeyDPDDVFBTKXVOQP-UHFFFAOYSA-N
XLogP2.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide
CID 133278092
N-pyridin-2-yl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 133367580
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
CID 24632870
2-(furan-2-yl)-1-[(2-thiophen-3-ylquinazolin-4-yl)amino]propan-2-ol
CID 133323931
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453486
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846
N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507418
2-[(2-phenylquinazolin-4-yl)amino]acetate
CID 4053821
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide?
The IUPAC name of N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide (CID 49430506) is N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide.
What is the SMILES notation for N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide?
The canonical SMILES for N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide is C#CCNC(=O)CNc1nc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide?
The InChIKey is DPDDVFBTKXVOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-2-8-18-15(22)10-19-17-13-5-3-4-6-14(13)20-16(21-17)12-7-9-23-11-12/h1,3-7,9,11H,8,10H2,(H,18,22)(H,19,20,21).
What are the key properties of N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide?
N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide has a molecular weight of 322.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 49430506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).