1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide

C34H38N4O2 — CID 162654625

IUPAC1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CC1CC1
InChIInChI=1S/C34H38N4O2/c39-34(32-21-27-5-1-2-9-31(27)38(32)23-25-10-11-25)36-30-8-3-6-26-7-4-20-37(33(26)30)22-24-12-14-28(15-13-24)40-29-16-18-35-19-17-29/h1-3,5-6,8-9,12-15,21,25,29,35H,4,7,10-11,16-20,22-23H2,(H,36,39)
InChIKeyPYWUYHHCBKOELN-UHFFFAOYSA-N
MW534.70 g/mol
LogP6.39
Rot. Bonds8

About 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide

1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide (PubChem CID 162654625) has the molecular formula C34H38N4O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
PubChem CID162654625
Molecular FormulaC34H38N4O2
Molecular Weight534.70 g/mol
Exact Mass534.30
IUPAC Name1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CC1CC1
InChIInChI=1S/C34H38N4O2/c39-34(32-21-27-5-1-2-9-31(27)38(32)23-25-10-11-25)36-30-8-3-6-26-7-4-20-37(33(26)30)22-24-12-14-28(15-13-24)40-29-16-18-35-19-17-29/h1-3,5-6,8-9,12-15,21,25,29,35H,4,7,10-11,16-20,22-23H2,(H,36,39)
InChIKeyPYWUYHHCBKOELN-UHFFFAOYSA-N
XLogP6.39
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide (CID 162654625) is 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide is O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The InChIKey is PYWUYHHCBKOELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O2/c39-34(32-21-27-5-1-2-9-31(27)38(32)23-25-10-11-25)36-30-8-3-6-26-7-4-20-37(33(26)30)22-24-12-14-28(15-13-24)40-29-16-18-35-19-17-29/h1-3,5-6,8-9,12-15,21,25,29,35H,4,7,10-11,16-20,22-23H2,(H,36,39).
What are the key properties of 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide has a molecular weight of 534.70 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide is sourced from PubChem (CID 162654625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).