1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea

C26H24ClN5O4 — CID 2814126

IUPAC1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1
InChIInChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33)
InChIKeyCMDAQLXZGWQKFG-UHFFFAOYSA-N
MW505.96 g/mol
LogP6.44
Rot. Bonds7

About 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea

1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea (PubChem CID 2814126) has the molecular formula C26H24ClN5O4 and a molecular weight of 505.96 g/mol. Its IUPAC name is 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
PubChem CID2814126
Molecular FormulaC26H24ClN5O4
Molecular Weight505.96 g/mol
Exact Mass505.15
IUPAC Name1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1
InChIInChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33)
InChIKeyCMDAQLXZGWQKFG-UHFFFAOYSA-N
XLogP6.44
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.96
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea
CID 155206375
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
2-(3-chloro-4-fluorophenoxy)-N-(3-cyclopentyloxy-4-methoxyphenyl)acetamide
CID 31873416
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl] N-(6-cyclobutyloxy-3-pyridinyl)carbamate
CID 15979763
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
CID 46416423
4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide
CID 3749500
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 12912829
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55830822

Frequently Asked Questions

What is the IUPAC name of 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea?
The IUPAC name of 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea (CID 2814126) is 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea.
What is the SMILES notation for 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea?
The canonical SMILES for 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1.
What is the InChIKey of 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea?
The InChIKey is CMDAQLXZGWQKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33).
What are the key properties of 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea?
1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea has a molecular weight of 505.96 g/mol, XLogP of 6.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea is sourced from PubChem (CID 2814126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).