benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate

C25H24N4O3 — CID 68517635

IUPACbenzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
SMILESCOc1ccc(CNc2nc(CNC(=O)OCc3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C25H24N4O3/c1-31-20-13-11-18(12-14-20)15-26-24-21-9-5-6-10-22(21)28-23(29-24)16-27-25(30)32-17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,30)(H,26,28,29)
InChIKeyHROHHXFQVOESKQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.68
Rot. Bonds8

About benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate

benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate (PubChem CID 68517635) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
PubChem CID68517635
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Namebenzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate
SMILESCOc1ccc(CNc2nc(CNC(=O)OCc3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C25H24N4O3/c1-31-20-13-11-18(12-14-20)15-26-24-21-9-5-6-10-22(21)28-23(29-24)16-27-25(30)32-17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,30)(H,26,28,29)
InChIKeyHROHHXFQVOESKQ-UHFFFAOYSA-N
XLogP4.68
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
CID 68519751
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
(4-methoxyphenyl)methyl N-[(Z)-[4-(benzylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 92540458
N-[2-[acetyl-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]amino]ethyl]acetamide
CID 68516361
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate (CID 68517635) is benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate is COc1ccc(CNc2nc(CNC(=O)OCc3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate?
The InChIKey is HROHHXFQVOESKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-20-13-11-18(12-14-20)15-26-24-21-9-5-6-10-22(21)28-23(29-24)16-27-25(30)32-17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,30)(H,26,28,29).
What are the key properties of benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate?
benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate has a molecular weight of 428.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methyl]carbamate is sourced from PubChem (CID 68517635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).