N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide

C24H29ClN4O4 — CID 24810349

IUPACN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
InChIInChI=1S/C24H29ClN4O4/c1-5-21(31)29(6-2)19-12-17-22(16(9-10-30)23(19)33-4)27-14-28-24(17)26-13-15-7-8-20(32-3)18(25)11-15/h7-8,11-12,14,30H,5-6,9-10,13H2,1-4H3,(H,26,27,28)
InChIKeySVKBWJJZTHYIAB-UHFFFAOYSA-N
MW472.97 g/mol
LogP4.21
Rot. Bonds10

About N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide

N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide (PubChem CID 24810349) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide
PubChem CID24810349
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC NameN-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
InChIInChI=1S/C24H29ClN4O4/c1-5-21(31)29(6-2)19-12-17-22(16(9-10-30)23(19)33-4)27-14-28-24(17)26-13-15-7-8-20(32-3)18(25)11-15/h7-8,11-12,14,30H,5-6,9-10,13H2,1-4H3,(H,26,27,28)
InChIKeySVKBWJJZTHYIAB-UHFFFAOYSA-N
XLogP4.21
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide?
The IUPAC name of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide (CID 24810349) is N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide?
The canonical SMILES for N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide is CCC(=O)N(CC)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC.
What is the InChIKey of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide?
The InChIKey is SVKBWJJZTHYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-5-21(31)29(6-2)19-12-17-22(16(9-10-30)23(19)33-4)27-14-28-24(17)26-13-15-7-8-20(32-3)18(25)11-15/h7-8,11-12,14,30H,5-6,9-10,13H2,1-4H3,(H,26,27,28).
What are the key properties of N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide?
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide has a molecular weight of 472.97 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-N-ethylpropanamide is sourced from PubChem (CID 24810349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).