2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one

C23H22N4O — CID 163516568

IUPAC2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one
SMILESCCNc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1
InChIInChI=1S/C23H22N4O/c1-3-24-18-7-5-8-19(13-18)26-23-25-14-17-12-16(10-11-20(17)27-23)22-15(2)6-4-9-21(22)28/h4-8,10-14,24H,3,9H2,1-2H3,(H,25,26,27)
InChIKeyXDTVVWLULURKEQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.11
Rot. Bonds5

About 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one

2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one (PubChem CID 163516568) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one
PubChem CID163516568
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one
SMILESCCNc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1
InChIInChI=1S/C23H22N4O/c1-3-24-18-7-5-8-19(13-18)26-23-25-14-17-12-16(10-11-20(17)27-23)22-15(2)6-4-9-21(22)28/h4-8,10-14,24H,3,9H2,1-2H3,(H,25,26,27)
InChIKeyXDTVVWLULURKEQ-UHFFFAOYSA-N
XLogP5.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

N-ethyl-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide
CID 163491081
N-(2-methoxyethyl)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163557186
N-ethyl-N-[2-methyl-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163557184
N-[2-(2-methoxyethoxy)-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163546052
3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one
CID 162699487
N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide
CID 146690128
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543218
N-(3-bromophenyl)-6-nitroquinazolin-2-amine
CID 142646683
N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]-N-(1,1,2,2,2-pentadeuterioethyl)prop-2-enamide
CID 162699485
[3-[[6-(2-chloro-5-hydroxyphenyl)quinazolin-2-yl]amino]phenyl]methanediol
CID 66587048
2-(3-ethynylanilino)quinazolin-6-ol
CID 87551499
5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine
CID 58830072

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one (CID 163516568) is 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one is CCNc1cccc(Nc2ncc3cc(C4=C(C)C=CCC4=O)ccc3n2)c1.
What is the InChIKey of 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one?
The InChIKey is XDTVVWLULURKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-24-18-7-5-8-19(13-18)26-23-25-14-17-12-16(10-11-20(17)27-23)22-15(2)6-4-9-21(22)28/h4-8,10-14,24H,3,9H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one?
2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one has a molecular weight of 370.46 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 163516568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).