tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate

C19H20N4O2 — CID 72705111

IUPACtert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc3ncnc(N)c3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)25-18(24)23-14-7-4-12(5-8-14)13-6-9-16-15(10-13)17(20)22-11-21-16/h4-11H,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyWJPXTPBTIUMFLR-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.23
Rot. Bonds2

About tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate

tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate (PubChem CID 72705111) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate
PubChem CID72705111
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Nametert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc3ncnc(N)c3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)25-18(24)23-14-7-4-12(5-8-14)13-6-9-16-15(10-13)17(20)22-11-21-16/h4-11H,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyWJPXTPBTIUMFLR-UHFFFAOYSA-N
XLogP4.23
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
6-tert-butylquinazolin-4-amine
CID 58008725
tert-butyl N-[3-amino-5-(4-aminophenyl)phenyl]carbamate
CID 68784282
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-3-carboxylic acid
CID 53224663
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
tert-butyl N-[4-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)phenyl]carbamate
CID 68939473
tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate (CID 72705111) is tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccc3ncnc(N)c3c2)cc1.
What is the InChIKey of tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate?
The InChIKey is WJPXTPBTIUMFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,3)25-18(24)23-14-7-4-12(5-8-14)13-6-9-16-15(10-13)17(20)22-11-21-16/h4-11H,1-3H3,(H,23,24)(H2,20,21,22).
What are the key properties of tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate?
tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate has a molecular weight of 336.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-aminoquinazolin-6-yl)phenyl]carbamate is sourced from PubChem (CID 72705111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).