N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide

C28H33N5O3 — CID 136505696

IUPACN-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)NC(CCN(C)C)c1ccccc1
InChIInChI=1S/C28H33N5O3/c1-18-15-25-22(26-23(28(35)31-25)17-29-33(26)20-10-13-36-14-11-20)16-21(18)27(34)30-24(9-12-32(2)3)19-7-5-4-6-8-19/h4-8,15-17,20,24H,9-14H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyLPSXTNWCIDEEQT-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.96
Rot. Bonds7

About N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide

N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 136505696) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID136505696
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC NameN-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)NC(CCN(C)C)c1ccccc1
InChIInChI=1S/C28H33N5O3/c1-18-15-25-22(26-23(28(35)31-25)17-29-33(26)20-10-13-36-14-11-20)16-21(18)27(34)30-24(9-12-32(2)3)19-7-5-4-6-8-19/h4-8,15-17,20,24H,9-14H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyLPSXTNWCIDEEQT-UHFFFAOYSA-N
XLogP3.96
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide (CID 136505696) is N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide is Cc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)NC(CCN(C)C)c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is LPSXTNWCIDEEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-18-15-25-22(26-23(28(35)31-25)17-29-33(26)20-10-13-36-14-11-20)16-21(18)27(34)30-24(9-12-32(2)3)19-7-5-4-6-8-19/h4-8,15-17,20,24H,9-14H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide?
N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-phenylpropyl]-7-methyl-1-(oxan-4-yl)-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 136505696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).