N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide

C29H28N4O2 — CID 10183311

IUPACN-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NC(Cc4ccccc4)CN(C)C)c3nc12
InChIInChI=1S/C29H28N4O2/c1-33(2)18-20(17-19-9-5-4-6-10-19)30-29(34)23-12-7-13-24-28(23)32-27-22-11-8-14-26(35-3)21(22)15-16-25(27)31-24/h4-16,20H,17-18H2,1-3H3,(H,30,34)
InChIKeyXWLCBKRGWKZJHT-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.85
Rot. Bonds7

About N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide

N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10183311) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
PubChem CID10183311
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NC(Cc4ccccc4)CN(C)C)c3nc12
InChIInChI=1S/C29H28N4O2/c1-33(2)18-20(17-19-9-5-4-6-10-19)30-29(34)23-12-7-13-24-28(23)32-27-22-11-8-14-26(35-3)21(22)15-16-25(27)31-24/h4-16,20H,17-18H2,1-3H3,(H,30,34)
InChIKeyXWLCBKRGWKZJHT-UHFFFAOYSA-N
XLogP4.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide (CID 10183311) is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide is COc1cccc2c1ccc1nc3cccc(C(=O)NC(Cc4ccccc4)CN(C)C)c3nc12.
What is the InChIKey of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is XWLCBKRGWKZJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-33(2)18-20(17-19-9-5-4-6-10-19)30-29(34)23-12-7-13-24-28(23)32-27-22-11-8-14-26(35-3)21(22)15-16-25(27)31-24/h4-16,20H,17-18H2,1-3H3,(H,30,34).
What are the key properties of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10183311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).