N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine

C23H22N4O2S — CID 15956190

IUPACN-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3ccc(-c4cccs4)cc23)ccc1N1CCOCC1
InChIInChI=1S/C23H22N4O2S/c1-28-21-14-17(5-7-20(21)27-8-10-29-11-9-27)26-23-18-13-16(22-3-2-12-30-22)4-6-19(18)24-15-25-23/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)
InChIKeyCGEFRQQCWSFXGM-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.95
Rot. Bonds5

About N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine

N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine (PubChem CID 15956190) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine
PubChem CID15956190
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3ccc(-c4cccs4)cc23)ccc1N1CCOCC1
InChIInChI=1S/C23H22N4O2S/c1-28-21-14-17(5-7-20(21)27-8-10-29-11-9-27)26-23-18-13-16(22-3-2-12-30-22)4-6-19(18)24-15-25-23/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)
InChIKeyCGEFRQQCWSFXGM-UHFFFAOYSA-N
XLogP4.95
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
(2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thienylmethoxy)cyclohexa-1,4-dien-1-yl]amino}-7-ethoxyquinazolin-6-yl)but-2-enamide
CID 44428895
6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44968200
N-(3-methoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2446351
6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
CID 3235398
6-(3-methoxyphenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44142065
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44142068
N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine
CID 72724797
N-[2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-8-pyridin-3-ylquinazolin-2-amine
CID 72724869
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-thiophen-2-ylmethanamine
CID 57441971
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-8-methyl-9-thiophen-3-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68060144
US11839613, Example 347
CID 137278887

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine (CID 15956190) is N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine is COc1cc(Nc2ncnc3ccc(-c4cccs4)cc23)ccc1N1CCOCC1.
What is the InChIKey of N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine?
The InChIKey is CGEFRQQCWSFXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-28-21-14-17(5-7-20(21)27-8-10-29-11-9-27)26-23-18-13-16(22-3-2-12-30-22)4-6-19(18)24-15-25-23/h2-7,12-15H,8-11H2,1H3,(H,24,25,26).
What are the key properties of N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine?
N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine has a molecular weight of 418.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 15956190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).