N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide

C26H29N3O3 — CID 102022722

IUPACN-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2Cc3c(ccc4ccccc34)N(CCCN(C)C)C2=O)cc1
InChIInChI=1S/C26H29N3O3/c1-28(2)15-6-16-29-24-14-11-18-7-4-5-8-21(18)22(24)17-23(26(29)31)27-25(30)19-9-12-20(32-3)13-10-19/h4-5,7-14,23H,6,15-17H2,1-3H3,(H,27,30)
InChIKeyICXFGAAMWPTJKX-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.49
Rot. Bonds7

About N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide

N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide (PubChem CID 102022722) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide
PubChem CID102022722
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2Cc3c(ccc4ccccc34)N(CCCN(C)C)C2=O)cc1
InChIInChI=1S/C26H29N3O3/c1-28(2)15-6-16-29-24-14-11-18-7-4-5-8-21(18)22(24)17-23(26(29)31)27-25(30)19-9-12-20(32-3)13-10-19/h4-5,7-14,23H,6,15-17H2,1-3H3,(H,27,30)
InChIKeyICXFGAAMWPTJKX-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide (CID 102022722) is N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2Cc3c(ccc4ccccc34)N(CCCN(C)C)C2=O)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide?
The InChIKey is ICXFGAAMWPTJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-28(2)15-6-16-29-24-14-11-18-7-4-5-8-21(18)22(24)17-23(26(29)31)27-25(30)19-9-12-20(32-3)13-10-19/h4-5,7-14,23H,6,15-17H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide?
N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide has a molecular weight of 431.54 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propyl]-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 102022722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).