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

C24H31N5O4 — CID 129010598

IUPACethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OCCN(CC)CC)cc23)cc1
InChIInChI=1S/C24H31N5O4/c1-5-29(6-2)12-13-33-22-14-19-20(15-21(22)31-4)25-16-26-23(19)27-17-8-10-18(11-9-17)28-24(30)32-7-3/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,28,30)(H,25,26,27)
InChIKeyJUPRCVNZWMPUFI-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.67
Rot. Bonds11

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

ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate (PubChem CID 129010598) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate
PubChem CID129010598
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Nameethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OCCN(CC)CC)cc23)cc1
InChIInChI=1S/C24H31N5O4/c1-5-29(6-2)12-13-33-22-14-19-20(15-21(22)31-4)25-16-26-23(19)27-17-8-10-18(11-9-17)28-24(30)32-7-3/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,28,30)(H,25,26,27)
InChIKeyJUPRCVNZWMPUFI-UHFFFAOYSA-N
XLogP4.67
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
CID 129010594
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
1-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]-3-(2,4-difluorophenyl)urea
CID 129010604
4-N-[1-(butylamino)ethenyl]-1-N-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]benzene-1,4-diamine
CID 168926826
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
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
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
ethyl 7-[4-(4-benzoylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 141401410
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate (CID 129010598) is ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OCCN(CC)CC)cc23)cc1.
What is the InChIKey of ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate?
The InChIKey is JUPRCVNZWMPUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-5-29(6-2)12-13-33-22-14-19-20(15-21(22)31-4)25-16-26-23(19)27-17-8-10-18(11-9-17)28-24(30)32-7-3/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,28,30)(H,25,26,27).
What are the key properties of ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate?
ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate has a molecular weight of 453.54 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate is sourced from PubChem (CID 129010598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).