1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea

C20H21Cl2N5O2 — CID 83282827

IUPAC1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea
SMILESCCc1nc(NCCNC(=O)Nc2ccc(OC)cc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C20H21Cl2N5O2/c1-3-17-26-18-15(10-12(21)11-16(18)22)19(27-17)23-8-9-24-20(28)25-13-4-6-14(29-2)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26,27)(H2,24,25,28)
InChIKeyBVJYBGHANFOOEY-UHFFFAOYSA-N
MW434.33 g/mol
LogP4.74
Rot. Bonds7

About 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea

1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea (PubChem CID 83282827) has the molecular formula C20H21Cl2N5O2 and a molecular weight of 434.33 g/mol. Its IUPAC name is 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea
PubChem CID83282827
Molecular FormulaC20H21Cl2N5O2
Molecular Weight434.33 g/mol
Exact Mass433.11
IUPAC Name1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea
SMILESCCc1nc(NCCNC(=O)Nc2ccc(OC)cc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C20H21Cl2N5O2/c1-3-17-26-18-15(10-12(21)11-16(18)22)19(27-17)23-8-9-24-20(28)25-13-4-6-14(29-2)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26,27)(H2,24,25,28)
InChIKeyBVJYBGHANFOOEY-UHFFFAOYSA-N
XLogP4.74
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide
CID 83282763
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea (CID 83282827) is 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea is CCc1nc(NCCNC(=O)Nc2ccc(OC)cc2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea?
The InChIKey is BVJYBGHANFOOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O2/c1-3-17-26-18-15(10-12(21)11-16(18)22)19(27-17)23-8-9-24-20(28)25-13-4-6-14(29-2)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26,27)(H2,24,25,28).
What are the key properties of 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea?
1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea has a molecular weight of 434.33 g/mol, XLogP of 4.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 83282827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).