CID 173423168

C24H31ClN4O4 — CID 173423168

IUPAC—
SMILESCN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C24H30N4.ClHO4/c1-25(2)19-7-13-22(14-8-19)28(23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6;2-1(3,4)5/h7-18H,1-6H3;(H,2,3,4,5)
InChIKeyRTVUHHJKJORRLY-UHFFFAOYSA-N
MW474.99 g/mol
LogP1.23
Rot. Bonds6

About CID 173423168

CID 173423168 (PubChem CID 173423168) has the molecular formula C24H31ClN4O4 and a molecular weight of 474.99 g/mol.

Molecular Properties

Compound NameCID 173423168
PubChem CID173423168
Molecular FormulaC24H31ClN4O4
Molecular Weight474.99 g/mol
Exact Mass474.20
IUPAC Name—
SMILESCN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C24H30N4.ClHO4/c1-25(2)19-7-13-22(14-8-19)28(23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6;2-1(3,4)5/h7-18H,1-6H3;(H,2,3,4,5)
InChIKeyRTVUHHJKJORRLY-UHFFFAOYSA-N
XLogP1.23
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

CID 173417054
CID 173417054
N,N-dimethylaniline;N,N-diphenylaniline
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4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-(N-[4-(dimethylamino)phenyl]anilino)phenol
CID 57152032
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4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
CID 58925352
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine
CID 143236484
(2E)-1-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ol;perchloric acid
CID 19853495
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of CID 173423168?
The IUPAC name of CID 173423168 (CID 173423168) is not available.
What is the SMILES notation for CID 173423168?
The canonical SMILES for CID 173423168 is CN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of CID 173423168?
The InChIKey is RTVUHHJKJORRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4.ClHO4/c1-25(2)19-7-13-22(14-8-19)28(23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6;2-1(3,4)5/h7-18H,1-6H3;(H,2,3,4,5).
What are the key properties of CID 173423168?
CID 173423168 has a molecular weight of 474.99 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173423168 is sourced from PubChem (CID 173423168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).