tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine

C35H40N4O2 — CID 161187863

IUPACtert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine
SMILESCC(C)(C)OC(=O)NC1Cc2ccccc2N(c2ccccc2)C1.NC1Cc2ccccc2N(c2ccccc2)C1
InChIInChI=1S/C20H24N2O2.C15H16N2/c1-20(2,3)24-19(23)21-16-13-15-9-7-8-12-18(15)22(14-16)17-10-5-4-6-11-17;16-13-10-12-6-4-5-9-15(12)17(11-13)14-7-2-1-3-8-14/h4-12,16H,13-14H2,1-3H3,(H,21,23);1-9,13H,10-11,16H2
InChIKeyUTIBJQAFJFEKRI-UHFFFAOYSA-N
MW548.73 g/mol
LogP6.98
Rot. Bonds3

About tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine

tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 161187863) has the molecular formula C35H40N4O2 and a molecular weight of 548.73 g/mol. Its IUPAC name is tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Nametert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine
PubChem CID161187863
Molecular FormulaC35H40N4O2
Molecular Weight548.73 g/mol
Exact Mass548.32
IUPAC Nametert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine
SMILESCC(C)(C)OC(=O)NC1Cc2ccccc2N(c2ccccc2)C1.NC1Cc2ccccc2N(c2ccccc2)C1
InChIInChI=1S/C20H24N2O2.C15H16N2/c1-20(2,3)24-19(23)21-16-13-15-9-7-8-12-18(15)22(14-16)17-10-5-4-6-11-17;16-13-10-12-6-4-5-9-15(12)17(11-13)14-7-2-1-3-8-14/h4-12,16H,13-14H2,1-3H3,(H,21,23);1-9,13H,10-11,16H2
InChIKeyUTIBJQAFJFEKRI-UHFFFAOYSA-N
XLogP6.98
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine with MolForge

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Related Compounds

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CID 59400239
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CID 158399426
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tert-butyl N-[5-carbamoyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]carbamate
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tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine (CID 161187863) is tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine is CC(C)(C)OC(=O)NC1Cc2ccccc2N(c2ccccc2)C1.NC1Cc2ccccc2N(c2ccccc2)C1.
What is the InChIKey of tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is UTIBJQAFJFEKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.C15H16N2/c1-20(2,3)24-19(23)21-16-13-15-9-7-8-12-18(15)22(14-16)17-10-5-4-6-11-17;16-13-10-12-6-4-5-9-15(12)17(11-13)14-7-2-1-3-8-14/h4-12,16H,13-14H2,1-3H3,(H,21,23);1-9,13H,10-11,16H2.
What are the key properties of tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine?
tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 548.73 g/mol, XLogP of 6.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)carbamate;1-phenyl-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 161187863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).