N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide

C23H29N5O3 — CID 129010594

IUPACN-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
SMILESCCN(CC)CCOc1cc2c(Nc3ccc(NC(C)=O)cc3)ncnc2cc1OC
InChIInChI=1S/C23H29N5O3/c1-5-28(6-2)11-12-31-22-13-19-20(14-21(22)30-4)24-15-25-23(19)27-18-9-7-17(8-10-18)26-16(3)29/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyLWDSDGZSQXRZJV-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.06
Rot. Bonds10

About N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide

N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide (PubChem CID 129010594) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
PubChem CID129010594
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
SMILESCCN(CC)CCOc1cc2c(Nc3ccc(NC(C)=O)cc3)ncnc2cc1OC
InChIInChI=1S/C23H29N5O3/c1-5-28(6-2)11-12-31-22-13-19-20(14-21(22)30-4)24-15-25-23(19)27-18-9-7-17(8-10-18)26-16(3)29/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyLWDSDGZSQXRZJV-UHFFFAOYSA-N
XLogP4.06
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate
CID 129010598
4-N-[1-(butylamino)ethenyl]-1-N-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]benzene-1,4-diamine
CID 168926826
1-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]-3-(2,4-difluorophenyl)urea
CID 129010604
methyl 3-acetamido-3-[4-[[6-[3-(diethylamino)propoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]propanoate
CID 162518025
1-[4-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]phenyl]ethanone;ethane
CID 142929534
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
2-acetamido-3-[4-[[6-(3-chloropropoxy)-7-methoxyquinazolin-4-yl]amino]phenyl]propanoic acid
CID 175403103

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide (CID 129010594) is N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide is CCN(CC)CCOc1cc2c(Nc3ccc(NC(C)=O)cc3)ncnc2cc1OC.
What is the InChIKey of N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide?
The InChIKey is LWDSDGZSQXRZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-5-28(6-2)11-12-31-22-13-19-20(14-21(22)30-4)24-15-25-23(19)27-18-9-7-17(8-10-18)26-16(3)29/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,26,29)(H,24,25,27).
What are the key properties of N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 4.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 129010594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).