1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea

C22H18N6O2 — CID 5030725

IUPAC1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
SMILESO=C(NCCCO)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C22H18N6O2/c29-11-3-10-25-22(30)26-13-6-7-16-17(12-13)28-21-15-5-2-9-24-19(15)18-14(20(21)27-16)4-1-8-23-18/h1-2,4-9,12,29H,3,10-11H2,(H2,25,26,30)
InChIKeyVAEQSFGKQHSKGY-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea

1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea (PubChem CID 5030725) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
PubChem CID5030725
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
SMILESO=C(NCCCO)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C22H18N6O2/c29-11-3-10-25-22(30)26-13-6-7-16-17(12-13)28-21-15-5-2-9-24-19(15)18-14(20(21)27-16)4-1-8-23-18/h1-2,4-9,12,29H,3,10-11H2,(H2,25,26,30)
InChIKeyVAEQSFGKQHSKGY-UHFFFAOYSA-N
XLogP3.38
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 3399820
1-(2-chlorophenyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 126339621
N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3105372
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-phenylbutyl)urea
CID 108885753
9,10-dioxo-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylanthracene-2-carboxamide
CID 102007965
2-[4-(dimethylcarbamoyl)-2-pyridinyl]-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpyridine-4-carboxamide
CID 102007967
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
CID 126341158
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
6-[(2,3-dimethylquinoxalin-6-yl)carbamoylamino]hexanoic acid
CID 108885495
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea?
The IUPAC name of 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea (CID 5030725) is 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea is O=C(NCCCO)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea?
The InChIKey is VAEQSFGKQHSKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-11-3-10-25-22(30)26-13-6-7-16-17(12-13)28-21-15-5-2-9-24-19(15)18-14(20(21)27-16)4-1-8-23-18/h1-2,4-9,12,29H,3,10-11H2,(H2,25,26,30).
What are the key properties of 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea?
1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea has a molecular weight of 398.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea is sourced from PubChem (CID 5030725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).