1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea

C28H32N6O2 — CID 45102600

IUPAC1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
SMILESCN(C)CCCOc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C28H32N6O2/c1-34(2)17-6-18-36-24-13-14-25-26(19-24)30-20-31-27(25)29-16-15-21-9-11-23(12-10-21)33-28(35)32-22-7-4-3-5-8-22/h3-5,7-14,19-20H,6,15-18H2,1-2H3,(H,29,30,31)(H2,32,33,35)
InChIKeyRADWEEJGFUTQGB-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.26
Rot. Bonds11

About 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea

1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea (PubChem CID 45102600) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
PubChem CID45102600
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
SMILESCN(C)CCCOc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C28H32N6O2/c1-34(2)17-6-18-36-24-13-14-25-26(19-24)30-20-31-27(25)29-16-15-21-9-11-23(12-10-21)33-28(35)32-22-7-4-3-5-8-22/h3-5,7-14,19-20H,6,15-18H2,1-2H3,(H,29,30,31)(H2,32,33,35)
InChIKeyRADWEEJGFUTQGB-UHFFFAOYSA-N
XLogP5.26
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Erlotinib
CID 176870
Tandutinib
CID 3038522
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
Buquineran
CID 71953
Src Kinase Inhibitor I
CID 1474853
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea (CID 45102600) is 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea is CN(C)CCCOc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea?
The InChIKey is RADWEEJGFUTQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-34(2)17-6-18-36-24-13-14-25-26(19-24)30-20-31-27(25)29-16-15-21-9-11-23(12-10-21)33-28(35)32-22-7-4-3-5-8-22/h3-5,7-14,19-20H,6,15-18H2,1-2H3,(H,29,30,31)(H2,32,33,35).
What are the key properties of 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea?
1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea has a molecular weight of 484.60 g/mol, XLogP of 5.26, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 45102600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).