N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide

C58H57ClN4O5 — CID 144940329

IUPACN-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)CC2CCCN(c3ccc4[nH]c(Cc5ccccc5)c(-c5cccc(O)c5)c(=O)c4c3)C2)cc1
InChIInChI=1S/C58H57ClN4O5/c1-37-19-21-42(22-20-37)58(67)63(29-11-27-60)54(57-49(31-39-12-5-3-6-13-39)55(65)47-25-23-44(59)34-52(47)68-57)38(2)30-41-16-10-28-62(36-41)45-24-26-50-48(35-45)56(66)53(43-17-9-18-46(64)33-43)51(61-50)32-40-14-7-4-8-15-40/h3-9,12-15,17-26,33-35,38,41,54,64H,10-11,16,27-32,36,60H2,1-2H3,(H,61,66)/t38?,41?,54-/m1/s1
InChIKeyMOQJHBSZWPYPHV-JFVDKFRFSA-N
MW925.57 g/mol
LogP11.63
Rot. Bonds15

About N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide

N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide (PubChem CID 144940329) has the molecular formula C58H57ClN4O5 and a molecular weight of 925.57 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide
PubChem CID144940329
Molecular FormulaC58H57ClN4O5
Molecular Weight925.57 g/mol
Exact Mass924.40
IUPAC NameN-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)CC2CCCN(c3ccc4[nH]c(Cc5ccccc5)c(-c5cccc(O)c5)c(=O)c4c3)C2)cc1
InChIInChI=1S/C58H57ClN4O5/c1-37-19-21-42(22-20-37)58(67)63(29-11-27-60)54(57-49(31-39-12-5-3-6-13-39)55(65)47-25-23-44(59)34-52(47)68-57)38(2)30-41-16-10-28-62(36-41)45-24-26-50-48(35-45)56(66)53(43-17-9-18-46(64)33-43)51(61-50)32-40-14-7-4-8-15-40/h3-9,12-15,17-26,33-35,38,41,54,64H,10-11,16,27-32,36,60H2,1-2H3,(H,61,66)/t38?,41?,54-/m1/s1
InChIKeyMOQJHBSZWPYPHV-JFVDKFRFSA-N
XLogP11.63
TPSA132.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.57
LogP ≤ 511.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide (CID 144940329) is N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)CC2CCCN(c3ccc4[nH]c(Cc5ccccc5)c(-c5cccc(O)c5)c(=O)c4c3)C2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide?
The InChIKey is MOQJHBSZWPYPHV-JFVDKFRFSA-N. The full InChI is InChI=1S/C58H57ClN4O5/c1-37-19-21-42(22-20-37)58(67)63(29-11-27-60)54(57-49(31-39-12-5-3-6-13-39)55(65)47-25-23-44(59)34-52(47)68-57)38(2)30-41-16-10-28-62(36-41)45-24-26-50-48(35-45)56(66)53(43-17-9-18-46(64)33-43)51(61-50)32-40-14-7-4-8-15-40/h3-9,12-15,17-26,33-35,38,41,54,64H,10-11,16,27-32,36,60H2,1-2H3,(H,61,66)/t38?,41?,54-/m1/s1.
What are the key properties of N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide?
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide has a molecular weight of 925.57 g/mol, XLogP of 11.63, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide is sourced from PubChem (CID 144940329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).