quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate

C32H29N3O5 — CID 22887562

IUPACquinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate
SMILESCOc1ccc(C(NNC(=O)Oc2ccc3ccccc3n2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H29N3O5/c1-37-26-15-9-23(10-16-26)32(24-11-17-27(38-2)18-12-24,25-13-19-28(39-3)20-14-25)35-34-31(36)40-30-21-8-22-6-4-5-7-29(22)33-30/h4-21,35H,1-3H3,(H,34,36)
InChIKeyPIIGTQILPTXEHI-UHFFFAOYSA-N
MW535.60 g/mol
LogP5.85
Rot. Bonds9

About quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate

quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate (PubChem CID 22887562) has the molecular formula C32H29N3O5 and a molecular weight of 535.60 g/mol. Its IUPAC name is quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate.

Molecular Properties

Compound Namequinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate
PubChem CID22887562
Molecular FormulaC32H29N3O5
Molecular Weight535.60 g/mol
Exact Mass535.21
IUPAC Namequinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate
SMILESCOc1ccc(C(NNC(=O)Oc2ccc3ccccc3n2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H29N3O5/c1-37-26-15-9-23(10-16-26)32(24-11-17-27(38-2)18-12-24,25-13-19-28(39-3)20-14-25)35-34-31(36)40-30-21-8-22-6-4-5-7-29(22)33-30/h4-21,35H,1-3H3,(H,34,36)
InChIKeyPIIGTQILPTXEHI-UHFFFAOYSA-N
XLogP5.85
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine
CID 22976758
2-(3,5-dimethoxyphenoxy)quinoline
CID 175975830
4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
CID 54345301
(5-chloro-1,3-benzothiazol-2-yl) N-(tritylamino)carbamate;furan-2-yl N-(tritylamino)carbamate;S-[(5-methyl-2-pyridinyl)] N-(tritylamino)carbamothioate;pyridin-3-yl N-(tritylamino)carbamate;quinolin-2-yl N-[[bis(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]carbamate;thiophen-2-yl N-(tritylamino)carbamate;hydrate
CID 159245141
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline
CID 175975799
2-aminoacetamide;quinolin-2-yl hydrogen carbonate
CID 22446093
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572
methyl 4-hydroxy-4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]but-2-ynoate
CID 10579134
(2R,3S)-2-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-3-hydroxybutanoic acid
CID 175799050
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate?
The IUPAC name of quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate (CID 22887562) is quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate.
What is the SMILES notation for quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate?
The canonical SMILES for quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate is COc1ccc(C(NNC(=O)Oc2ccc3ccccc3n2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate?
The InChIKey is PIIGTQILPTXEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O5/c1-37-26-15-9-23(10-16-26)32(24-11-17-27(38-2)18-12-24,25-13-19-28(39-3)20-14-25)35-34-31(36)40-30-21-8-22-6-4-5-7-29(22)33-30/h4-21,35H,1-3H3,(H,34,36).
What are the key properties of quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate?
quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate has a molecular weight of 535.60 g/mol, XLogP of 5.85, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate is sourced from PubChem (CID 22887562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).