(4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide

C24H41N3O2 — CID 118718219

IUPAC(4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C24H41N3O2/c1-6-27(7-2)21(28)19-10-8-9-17-16-11-12-20-24(4,15-25-22(29)26(20)5)18(16)13-14-23(17,19)3/h16-20H,6-15H2,1-5H3,(H,25,29)/t16-,17-,18-,19+,20+,23-,24+/m0/s1
InChIKeySLZJMEMEWDUTRZ-ZOGIJGBBSA-N
MW403.61 g/mol
LogP4.13
Rot. Bonds3

About (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide

(4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide (PubChem CID 118718219) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide.

Molecular Properties

Compound Name(4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide
PubChem CID118718219
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Name(4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C24H41N3O2/c1-6-27(7-2)21(28)19-10-8-9-17-16-11-12-20-24(4,15-25-22(29)26(20)5)18(16)13-14-23(17,19)3/h16-20H,6-15H2,1-5H3,(H,25,29)/t16-,17-,18-,19+,20+,23-,24+/m0/s1
InChIKeySLZJMEMEWDUTRZ-ZOGIJGBBSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide?
The IUPAC name of (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide (CID 118718219) is (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide.
What is the SMILES notation for (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide?
The canonical SMILES for (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide is CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide?
The InChIKey is SLZJMEMEWDUTRZ-ZOGIJGBBSA-N. The full InChI is InChI=1S/C24H41N3O2/c1-6-27(7-2)21(28)19-10-8-9-17-16-11-12-20-24(4,15-25-22(29)26(20)5)18(16)13-14-23(17,19)3/h16-20H,6-15H2,1-5H3,(H,25,29)/t16-,17-,18-,19+,20+,23-,24+/m0/s1.
What are the key properties of (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide?
(4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide has a molecular weight of 403.61 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide is sourced from PubChem (CID 118718219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).