1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one

C26H32N6O — CID 70925070

IUPAC1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one
SMILESCCc1cccc(Nc2ncnc3ccc(-n4ccn(CCCN(CC)CC)c4=O)cc23)c1
InChIInChI=1S/C26H32N6O/c1-4-20-9-7-10-21(17-20)29-25-23-18-22(11-12-24(23)27-19-28-25)32-16-15-31(26(32)33)14-8-13-30(5-2)6-3/h7,9-12,15-19H,4-6,8,13-14H2,1-3H3,(H,27,28,29)
InChIKeySCOWHBXSXUCXLT-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.62
Rot. Bonds10

About 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one

1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one (PubChem CID 70925070) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one
PubChem CID70925070
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one
SMILESCCc1cccc(Nc2ncnc3ccc(-n4ccn(CCCN(CC)CC)c4=O)cc23)c1
InChIInChI=1S/C26H32N6O/c1-4-20-9-7-10-21(17-20)29-25-23-18-22(11-12-24(23)27-19-28-25)32-16-15-31(26(32)33)14-8-13-30(5-2)6-3/h7,9-12,15-19H,4-6,8,13-14H2,1-3H3,(H,27,28,29)
InChIKeySCOWHBXSXUCXLT-UHFFFAOYSA-N
XLogP4.62
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 70925072
1-[2-[ethyl-[2-methyl-3-(methylamino)propyl]amino]ethyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]imidazol-2-one
CID 89105633
N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 44600445
1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one
CID 143921722
1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one
CID 70925053
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
N-[4-(3-ethylanilino)quinazolin-6-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 143921719
1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(oxan-4-yl)imidazol-2-one
CID 46176511
1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one
CID 91540604
6-[3-[3-(dimethylamino)propyl]imidazol-4-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 44532065

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one (CID 70925070) is 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one is CCc1cccc(Nc2ncnc3ccc(-n4ccn(CCCN(CC)CC)c4=O)cc23)c1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one?
The InChIKey is SCOWHBXSXUCXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-4-20-9-7-10-21(17-20)29-25-23-18-22(11-12-24(23)27-19-28-25)32-16-15-31(26(32)33)14-8-13-30(5-2)6-3/h7,9-12,15-19H,4-6,8,13-14H2,1-3H3,(H,27,28,29).
What are the key properties of 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one?
1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one has a molecular weight of 444.58 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one is sourced from PubChem (CID 70925070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).