N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine

C16H17N3OS — CID 78805402

IUPACN-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
SMILESCOCCCNc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C16H17N3OS/c1-20-9-4-8-17-16-13-5-2-3-6-14(13)18-15(19-16)12-7-10-21-11-12/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,17,18,19)
InChIKeyXVUBPUDWQSWDRP-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.81
Rot. Bonds6

About N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine

N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 78805402) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
PubChem CID78805402
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
SMILESCOCCCNc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C16H17N3OS/c1-20-9-4-8-17-16-13-5-2-3-6-14(13)18-15(19-16)12-7-10-21-11-12/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,17,18,19)
InChIKeyXVUBPUDWQSWDRP-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 36834207
N-(3-methoxypropyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012971
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
CID 24632870
N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 49430506
2-(furan-2-yl)-1-[(2-thiophen-3-ylquinazolin-4-yl)amino]propan-2-ol
CID 133323931
N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine
CID 30725151

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine (CID 78805402) is N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine is COCCCNc1nc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is XVUBPUDWQSWDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-20-9-4-8-17-16-13-5-2-3-6-14(13)18-15(19-16)12-7-10-21-11-12/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine?
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 78805402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).