CID 10949890

C28H26N2O2 — CID 10949890

IUPAC—
SMILESCc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23CCc2ccccc2C3=O)cc1
InChIInChI=1S/C28H26N2O2/c1-18-11-13-20(14-12-18)23-17-30(2)28(22-9-5-6-10-24(22)29-26(28)32)27(23)16-15-19-7-3-4-8-21(19)25(27)31/h3-14,23H,15-17H2,1-2H3,(H,29,32)/t23-,27+,28+/m0/s1
InChIKeyQHPNHEVQFLNCIK-MLKSZZLFSA-N
MW422.53 g/mol
LogP4.69
Rot. Bonds1

About CID 10949890

CID 10949890 (PubChem CID 10949890) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol.

Molecular Properties

Compound NameCID 10949890
PubChem CID10949890
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name—
SMILESCc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23CCc2ccccc2C3=O)cc1
InChIInChI=1S/C28H26N2O2/c1-18-11-13-20(14-12-18)23-17-30(2)28(22-9-5-6-10-24(22)29-26(28)32)27(23)16-15-19-7-3-4-8-21(19)25(27)31/h3-14,23H,15-17H2,1-2H3,(H,29,32)/t23-,27+,28+/m0/s1
InChIKeyQHPNHEVQFLNCIK-MLKSZZLFSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10949890?
The IUPAC name of CID 10949890 (CID 10949890) is not available.
What is the SMILES notation for CID 10949890?
The canonical SMILES for CID 10949890 is Cc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23CCc2ccccc2C3=O)cc1.
What is the InChIKey of CID 10949890?
The InChIKey is QHPNHEVQFLNCIK-MLKSZZLFSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-18-11-13-20(14-12-18)23-17-30(2)28(22-9-5-6-10-24(22)29-26(28)32)27(23)16-15-19-7-3-4-8-21(19)25(27)31/h3-14,23H,15-17H2,1-2H3,(H,29,32)/t23-,27+,28+/m0/s1.
What are the key properties of CID 10949890?
CID 10949890 has a molecular weight of 422.53 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10949890 is sourced from PubChem (CID 10949890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).