6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

C28H32N2O5 — CID 118514393

IUPAC6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCC1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(=O)NC(C)COC)cn21
InChIInChI=1S/C28H32N2O5/c1-5-21-11-20-12-27(35-17-19-9-7-6-8-10-19)26(34-4)13-22(20)24-14-25(31)23(15-30(21)24)28(32)29-18(2)16-33-3/h6-10,12-15,18,21H,5,11,16-17H2,1-4H3,(H,29,32)
InChIKeySUIRTQWJCARYKC-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.37
Rot. Bonds9

About 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 118514393) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
PubChem CID118514393
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCC1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(=O)NC(C)COC)cn21
InChIInChI=1S/C28H32N2O5/c1-5-21-11-20-12-27(35-17-19-9-7-6-8-10-19)26(34-4)13-22(20)24-14-25(31)23(15-30(21)24)28(32)29-18(2)16-33-3/h6-10,12-15,18,21H,5,11,16-17H2,1-4H3,(H,29,32)
InChIKeySUIRTQWJCARYKC-UHFFFAOYSA-N
XLogP4.37
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The IUPAC name of 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (CID 118514393) is 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.
What is the SMILES notation for 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The canonical SMILES for 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is CCC1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(=O)NC(C)COC)cn21.
What is the InChIKey of 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The InChIKey is SUIRTQWJCARYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-5-21-11-20-12-27(35-17-19-9-7-6-8-10-19)26(34-4)13-22(20)24-14-25(31)23(15-30(21)24)28(32)29-18(2)16-33-3/h6-10,12-15,18,21H,5,11,16-17H2,1-4H3,(H,29,32).
What are the key properties of 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-methoxy-N-(1-methoxypropan-2-yl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 118514393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).