benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate

C18H16N6O2 — CID 177334894

IUPACbenzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate
SMILESNc1nc(N)c2c(ccc3c2ccn3NC(=O)OCc2ccccc2)n1
InChIInChI=1S/C18H16N6O2/c19-16-15-12-8-9-24(14(12)7-6-13(15)21-17(20)22-16)23-18(25)26-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H4,19,20,21,22)
InChIKeyUSLFTXJGSGKWNX-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.63
Rot. Bonds3

About benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate

benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate (PubChem CID 177334894) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate
PubChem CID177334894
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Namebenzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate
SMILESNc1nc(N)c2c(ccc3c2ccn3NC(=O)OCc2ccccc2)n1
InChIInChI=1S/C18H16N6O2/c19-16-15-12-8-9-24(14(12)7-6-13(15)21-17(20)22-16)23-18(25)26-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H4,19,20,21,22)
InChIKeyUSLFTXJGSGKWNX-UHFFFAOYSA-N
XLogP2.63
TPSA121.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl (3-ethyl-7-phenylpyrrolo[3,2-f]quinolin-9-yl) carbonate
CID 122192620
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 130161324
potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide
CID 74787649
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
CID 70001359
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
(2,4-diaminoquinazolin-6-yl)methyl 2-benzylbenzoate
CID 3008595
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate?
The IUPAC name of benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate (CID 177334894) is benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate.
What is the SMILES notation for benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate?
The canonical SMILES for benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate is Nc1nc(N)c2c(ccc3c2ccn3NC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate?
The InChIKey is USLFTXJGSGKWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-16-15-12-8-9-24(14(12)7-6-13(15)21-17(20)22-16)23-18(25)26-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H4,19,20,21,22).
What are the key properties of benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate?
benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate has a molecular weight of 348.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate is sourced from PubChem (CID 177334894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).