tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate

C25H32N6O4 — CID 59237266

IUPACtert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate
SMILESCOc1ccc(N(C)c2nc(NCCNC(=O)CNC(=O)OC(C)(C)C)nc3ccccc23)cc1
InChIInChI=1S/C25H32N6O4/c1-25(2,3)35-24(33)28-16-21(32)26-14-15-27-23-29-20-9-7-6-8-19(20)22(30-23)31(4)17-10-12-18(34-5)13-11-17/h6-13H,14-16H2,1-5H3,(H,26,32)(H,28,33)(H,27,29,30)
InChIKeyPSJQDTYMRNPRMH-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.46
Rot. Bonds9

About tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate (PubChem CID 59237266) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate
PubChem CID59237266
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Nametert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate
SMILESCOc1ccc(N(C)c2nc(NCCNC(=O)CNC(=O)OC(C)(C)C)nc3ccccc23)cc1
InChIInChI=1S/C25H32N6O4/c1-25(2,3)35-24(33)28-16-21(32)26-14-15-27-23-29-20-9-7-6-8-19(20)22(30-23)31(4)17-10-12-18(34-5)13-11-17/h6-13H,14-16H2,1-5H3,(H,26,32)(H,28,33)(H,27,29,30)
InChIKeyPSJQDTYMRNPRMH-UHFFFAOYSA-N
XLogP3.46
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

methyl N-[2-[[4-(3,4-dimethoxy-N-methylanilino)quinazolin-2-yl]amino]ethyl]carbamate
CID 59237301
2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11702079
4-[[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]methyl]benzaldehyde
CID 143778192
2-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 11418622
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
tert-butyl N-[2-[[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 175242308
2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
CID 59242122
methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
CID 71063625
(E)-7-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]hept-6-enoic acid
CID 68853969
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
CID 25226359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate (CID 59237266) is tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate is COc1ccc(N(C)c2nc(NCCNC(=O)CNC(=O)OC(C)(C)C)nc3ccccc23)cc1.
What is the InChIKey of tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate?
The InChIKey is PSJQDTYMRNPRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-25(2,3)35-24(33)28-16-21(32)26-14-15-27-23-29-20-9-7-6-8-19(20)22(30-23)31(4)17-10-12-18(34-5)13-11-17/h6-13H,14-16H2,1-5H3,(H,26,32)(H,28,33)(H,27,29,30).
What are the key properties of tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate has a molecular weight of 480.57 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 59237266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).