N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)

C20H14N3O2RbS — CID 89173906

IUPACN-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)
SMILESO=S(=O)(c1ccccc1)c1ccc(Nc2ncnc3cc[c-]cc23)cc1.[Rb+]
InChIInChI=1S/C20H14N3O2S.Rb/c24-26(25,16-6-2-1-3-7-16)17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20;/h1-3,5-14H,(H,21,22,23);/q-1;+1
InChIKeyAKAUTTKAMJDMSY-UHFFFAOYSA-N
MW445.89 g/mol
LogP1.01
Rot. Bonds4

About N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)

N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+) (PubChem CID 89173906) has the molecular formula C20H14N3O2RbS and a molecular weight of 445.89 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+).

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)
PubChem CID89173906
Molecular FormulaC20H14N3O2RbS
Molecular Weight445.89 g/mol
Exact Mass444.99
IUPAC NameN-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)
SMILESO=S(=O)(c1ccccc1)c1ccc(Nc2ncnc3cc[c-]cc23)cc1.[Rb+]
InChIInChI=1S/C20H14N3O2S.Rb/c24-26(25,16-6-2-1-3-7-16)17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20;/h1-3,5-14H,(H,21,22,23);/q-1;+1
InChIKeyAKAUTTKAMJDMSY-UHFFFAOYSA-N
XLogP1.01
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.89
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzenesulfonyl)phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-yl]quinazolin-4-amine
CID 67276824
4-N-[4-(benzenesulfonyl)phenyl]-6-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]quinazoline-4,6-diamine
CID 67564968
N-[4-(benzenesulfonyl)phenyl]-6-[3-(2-methylsulfonylethylamino)propyl]pyrido[3,4-d]pyrimidin-4-amine
CID 67565911
N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide
CID 16805620
5-[4-[4-(benzenesulfonyl)anilino]-7-methoxyquinazolin-6-yl]furan-2-carbaldehyde;hydrochloride
CID 87510001
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-[4-(benzenesulfonyl)phenyl]-6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methoxyquinazolin-4-amine
CID 54315991
4-(benzenesulfonyl)-N-bromoaniline
CID 157285083
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
CID 57151753
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)?
The IUPAC name of N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+) (CID 89173906) is N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+).
What is the SMILES notation for N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)?
The canonical SMILES for N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+) is O=S(=O)(c1ccccc1)c1ccc(Nc2ncnc3cc[c-]cc23)cc1.[Rb+].
What is the InChIKey of N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)?
The InChIKey is AKAUTTKAMJDMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N3O2S.Rb/c24-26(25,16-6-2-1-3-7-16)17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20;/h1-3,5-14H,(H,21,22,23);/q-1;+1.
What are the key properties of N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+)?
N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+) has a molecular weight of 445.89 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)phenyl]-6H-quinazolin-6-id-4-amine;rubidium(1+) is sourced from PubChem (CID 89173906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).