benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate

C29H30N4O2 — CID 167090887

IUPACbenzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate
SMILESC=C(C)c1c(-c2cc(C)nc(C)c2)[nH]c2cc3c(nc12)CC(NC(=O)OCc1ccccc1)CC3
InChIInChI=1S/C29H30N4O2/c1-17(2)26-27(22-12-18(3)30-19(4)13-22)33-25-14-21-10-11-23(15-24(21)32-28(25)26)31-29(34)35-16-20-8-6-5-7-9-20/h5-9,12-14,23,33H,1,10-11,15-16H2,2-4H3,(H,31,34)
InChIKeyIGLDZINRQKTUHQ-UHFFFAOYSA-N
MW466.59 g/mol
LogP6.06
Rot. Bonds5

About benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate

benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate (PubChem CID 167090887) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate
PubChem CID167090887
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Namebenzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate
SMILESC=C(C)c1c(-c2cc(C)nc(C)c2)[nH]c2cc3c(nc12)CC(NC(=O)OCc1ccccc1)CC3
InChIInChI=1S/C29H30N4O2/c1-17(2)26-27(22-12-18(3)30-19(4)13-22)33-25-14-21-10-11-23(15-24(21)32-28(25)26)31-29(34)35-16-20-8-6-5-7-9-20/h5-9,12-14,23,33H,1,10-11,15-16H2,2-4H3,(H,31,34)
InChIKeyIGLDZINRQKTUHQ-UHFFFAOYSA-N
XLogP6.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-7-yl)carbamate
CID 70858785
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
benzyl N-[2-(4-butoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]carbamate
CID 70930958
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 89384459
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
[4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid
CID 69377556
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
methyl (5S)-2-amino-5-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146278857

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate?
The IUPAC name of benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate (CID 167090887) is benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate.
What is the SMILES notation for benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate?
The canonical SMILES for benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate is C=C(C)c1c(-c2cc(C)nc(C)c2)[nH]c2cc3c(nc12)CC(NC(=O)OCc1ccccc1)CC3.
What is the InChIKey of benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate?
The InChIKey is IGLDZINRQKTUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-17(2)26-27(22-12-18(3)30-19(4)13-22)33-25-14-21-10-11-23(15-24(21)32-28(25)26)31-29(34)35-16-20-8-6-5-7-9-20/h5-9,12-14,23,33H,1,10-11,15-16H2,2-4H3,(H,31,34).
What are the key properties of benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate?
benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate has a molecular weight of 466.59 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2,6-dimethyl-4-pyridinyl)-3-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-6-yl]carbamate is sourced from PubChem (CID 167090887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).