(1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

About (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

(1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (PubChem CID 58535005) has the molecular formula C40H49N3O7S2 and a molecular weight of 747.98 g/mol. Its IUPAC name is (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.

Molecular Properties

Compound Name	(1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
PubChem CID	58535005
Molecular Formula	C40H49N3O7S2
Molecular Weight	747.98 g/mol
Exact Mass	747.30
IUPAC Name	(1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILES	COc1ccc2c(O[C@H]3C[C@H]4C(=O)CCCCCC/C=C\[C@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)CC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C
InChI	InChI=1S/C40H49N3O7S2/c1-23(2)32-22-51-38(42-32)31-19-36(28-15-16-35(49-4)24(3)37(28)41-31)50-26-17-29-30(18-26)34(45)21-40(39(46)43-52(47,48)27-13-14-27)20-25(40)11-9-7-5-6-8-10-12-33(29)44/h9,11,15-16,19,22-23,25-27,29-30H,5-8,10,12-14,17-18,20-21H2,1-4H3,(H,43,46)/b11-9-/t25-,26-,29+,30+,40+/m0/s1
InChIKey	HRTMZRBTNGBURK-VQUUOXKDSA-N
XLogP	7.63
TPSA	141.62 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	8
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.98
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?

The IUPAC name of (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (CID 58535005) is (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.

What is the SMILES notation for (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?

The canonical SMILES for (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is COc1ccc2c(O[C@H]3C[C@H]4C(=O)CCCCCC/C=C\[C@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)CC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.

What is the InChIKey of (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?

The InChIKey is HRTMZRBTNGBURK-VQUUOXKDSA-N. The full InChI is InChI=1S/C40H49N3O7S2/c1-23(2)32-22-51-38(42-32)31-19-36(28-15-16-35(49-4)24(3)37(28)41-31)50-26-17-29-30(18-26)34(45)21-40(39(46)43-52(47,48)27-13-14-27)20-25(40)11-9-7-5-6-8-10-12-33(29)44/h9,11,15-16,19,22-23,25-27,29-30H,5-8,10,12-14,17-18,20-21H2,1-4H3,(H,43,46)/b11-9-/t25-,26-,29+,30+,40+/m0/s1.

What are the key properties of (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?

(1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide has a molecular weight of 747.98 g/mol, XLogP of 7.63, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4R,6R,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxotricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is sourced from PubChem (CID 58535005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).