propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate

C21H24N4O4 — CID 56954133

IUPACpropan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)OC(C)C)c(C)c3)c2cc1OC
InChIInChI=1S/C21H24N4O4/c1-12(2)29-21(26)25-16-7-6-14(8-13(16)3)24-20-15-9-18(27-4)19(28-5)10-17(15)22-11-23-20/h6-12H,1-5H3,(H,25,26)(H,22,23,24)
InChIKeyLULUDEFEHHRYMQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.66
Rot. Bonds6

About propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate

propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate (PubChem CID 56954133) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
PubChem CID56954133
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Namepropan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)OC(C)C)c(C)c3)c2cc1OC
InChIInChI=1S/C21H24N4O4/c1-12(2)29-21(26)25-16-7-6-14(8-13(16)3)24-20-15-9-18(27-4)19(28-5)10-17(15)22-11-23-20/h6-12H,1-5H3,(H,25,26)(H,22,23,24)
InChIKeyLULUDEFEHHRYMQ-UHFFFAOYSA-N
XLogP4.66
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]benzoic acid
CID 69053494
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenyl]-3-fluoro-5-propan-2-ylbenzamide
CID 23627606
1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methylphenyl]-3,3-dimethylbutane-1,2-dione
CID 170967416
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate (CID 56954133) is propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate is COc1cc2ncnc(Nc3ccc(NC(=O)OC(C)C)c(C)c3)c2cc1OC.
What is the InChIKey of propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate?
The InChIKey is LULUDEFEHHRYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-12(2)29-21(26)25-16-7-6-14(8-13(16)3)24-20-15-9-18(27-4)19(28-5)10-17(15)22-11-23-20/h6-12H,1-5H3,(H,25,26)(H,22,23,24).
What are the key properties of propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate?
propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate has a molecular weight of 396.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate is sourced from PubChem (CID 56954133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).