tert-butyl carbamate;2-phenylquinoline

C20H22N2O2 — CID 175279486

IUPACtert-butyl carbamate;2-phenylquinoline
SMILESCC(C)(C)OC(N)=O.c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C15H11N.C5H11NO2/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-5(2,3)8-4(6)7/h1-11H;1-3H3,(H2,6,7)
InChIKeyMKZIEOWRMQIPTN-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.78
Rot. Bonds1

About tert-butyl carbamate;2-phenylquinoline

tert-butyl carbamate;2-phenylquinoline (PubChem CID 175279486) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl carbamate;2-phenylquinoline.

Molecular Properties

Compound Nametert-butyl carbamate;2-phenylquinoline
PubChem CID175279486
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Nametert-butyl carbamate;2-phenylquinoline
SMILESCC(C)(C)OC(N)=O.c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C15H11N.C5H11NO2/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-5(2,3)8-4(6)7/h1-11H;1-3H3,(H2,6,7)
InChIKeyMKZIEOWRMQIPTN-UHFFFAOYSA-N
XLogP4.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl carbamate;2-phenylquinoline 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

iridium;tris(2-phenylquinoline)
CID 122129463
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
tert-butyl 2-quinolin-2-ylpropanoate
CID 116645148
iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane
CID 157434360
1-(4-quinolin-2-ylphenyl)ethanone
CID 39226651
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
1-(4-quinolin-2-ylphenyl)propan-2-one
CID 82540961
tert-butyl carbamate;2-thia-5-azabicyclo[2.1.0]penta-1(5),3-diene
CID 174652955
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-quinolin-2-ylanilino]ethyl 4-methylbenzenesulfonate
CID 58362448

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-phenylquinoline?
The IUPAC name of tert-butyl carbamate;2-phenylquinoline (CID 175279486) is tert-butyl carbamate;2-phenylquinoline.
What is the SMILES notation for tert-butyl carbamate;2-phenylquinoline?
The canonical SMILES for tert-butyl carbamate;2-phenylquinoline is CC(C)(C)OC(N)=O.c1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of tert-butyl carbamate;2-phenylquinoline?
The InChIKey is MKZIEOWRMQIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N.C5H11NO2/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-5(2,3)8-4(6)7/h1-11H;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;2-phenylquinoline?
tert-butyl carbamate;2-phenylquinoline has a molecular weight of 322.41 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-phenylquinoline is sourced from PubChem (CID 175279486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).