N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

C27H28N4O2 — CID 53084651

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)NCCN4CCCc5ccccc54)cc32)c1
InChIInChI=1S/C27H28N4O2/c1-33-24-9-4-6-20(16-24)19-31-26-17-22(11-12-23(26)18-29-31)27(32)28-13-15-30-14-5-8-21-7-2-3-10-25(21)30/h2-4,6-7,9-12,16-18H,5,8,13-15,19H2,1H3,(H,28,32)
InChIKeyWOLURRCZQCGTQO-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.28
Rot. Bonds7

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 53084651) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID53084651
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)NCCN4CCCc5ccccc54)cc32)c1
InChIInChI=1S/C27H28N4O2/c1-33-24-9-4-6-20(16-24)19-31-26-17-22(11-12-23(26)18-29-31)27(32)28-13-15-30-14-5-8-21-7-2-3-10-25(21)30/h2-4,6-7,9-12,16-18H,5,8,13-15,19H2,1H3,(H,28,32)
InChIKeyWOLURRCZQCGTQO-UHFFFAOYSA-N
XLogP4.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (CID 53084651) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is COc1cccc(Cn2ncc3ccc(C(=O)NCCN4CCCc5ccccc54)cc32)c1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is WOLURRCZQCGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-33-24-9-4-6-20(16-24)19-31-26-17-22(11-12-23(26)18-29-31)27(32)28-13-15-30-14-5-8-21-7-2-3-10-25(21)30/h2-4,6-7,9-12,16-18H,5,8,13-15,19H2,1H3,(H,28,32).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53084651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).