N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide

C22H26N4O2S — CID 3630954

IUPACN-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCOCCCNC(=O)CSc1nc(NCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H26N4O2S/c1-28-15-7-13-23-20(27)16-29-22-25-19-11-6-5-10-18(19)21(26-22)24-14-12-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyZUNMNYXUOQZLRD-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.53
Rot. Bonds11

About N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide

N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide (PubChem CID 3630954) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide
PubChem CID3630954
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCOCCCNC(=O)CSc1nc(NCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H26N4O2S/c1-28-15-7-13-23-20(27)16-29-22-25-19-11-6-5-10-18(19)21(26-22)24-14-12-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyZUNMNYXUOQZLRD-UHFFFAOYSA-N
XLogP3.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 5142318
ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetate
CID 3592298
2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 41193420
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetamide
CID 6616460
2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 3289360
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
ethyl 4-[[2-[4-(benzylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 6616406
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7559078

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide (CID 3630954) is N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide is COCCCNC(=O)CSc1nc(NCCc2ccccc2)c2ccccc2n1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is ZUNMNYXUOQZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-28-15-7-13-23-20(27)16-29-22-25-19-11-6-5-10-18(19)21(26-22)24-14-12-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide?
N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 410.54 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3630954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).