ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine

C19H26N3OPV — CID 161379653

IUPACethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine
SMILESC.C=[V].CC.Cc1cc2c(Nc3ccccc3)ncnc2cc1OP
InChIInChI=1S/C15H14N3OP.C2H6.CH4.CH2.V/c1-10-7-12-13(8-14(10)19-20)16-9-17-15(12)18-11-5-3-2-4-6-11;1-2;;;/h2-9H,20H2,1H3,(H,16,17,18);1-2H3;1H4;1H2;
InChIKeyZXENJZUUOQMLQO-UHFFFAOYSA-N
MW394.36 g/mol
LogP5.48
Rot. Bonds3

About ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine

ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine (PubChem CID 161379653) has the molecular formula C19H26N3OPV and a molecular weight of 394.36 g/mol. Its IUPAC name is ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine.

Molecular Properties

Compound Nameethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine
PubChem CID161379653
Molecular FormulaC19H26N3OPV
Molecular Weight394.36 g/mol
Exact Mass394.13
IUPAC Nameethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine
SMILESC.C=[V].CC.Cc1cc2c(Nc3ccccc3)ncnc2cc1OP
InChIInChI=1S/C15H14N3OP.C2H6.CH4.CH2.V/c1-10-7-12-13(8-14(10)19-20)16-9-17-15(12)18-11-5-3-2-4-6-11;1-2;;;/h2-9H,20H2,1H3,(H,16,17,18);1-2H3;1H4;1H2;
InChIKeyZXENJZUUOQMLQO-UHFFFAOYSA-N
XLogP5.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.36
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
CID 159200740
aniline;6,7-dimethoxy-N-phenylquinazolin-4-amine;6,7-dimethylquinazoline;ethane;dihydrate
CID 159992930
4-anilinoquinazolin-6-ol;ethane
CID 91520479
6,7-dimethyl-N-phenylpyrido[2,3-d]pyrimidin-4-amine;ethane
CID 90952927
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 144534778
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
ethane;N-phenylbenzo[h]quinazolin-4-amine
CID 91248372

Frequently Asked Questions

What is the IUPAC name of ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine?
The IUPAC name of ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine (CID 161379653) is ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine.
What is the SMILES notation for ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine?
The canonical SMILES for ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine is C.C=[V].CC.Cc1cc2c(Nc3ccccc3)ncnc2cc1OP.
What is the InChIKey of ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine?
The InChIKey is ZXENJZUUOQMLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3OP.C2H6.CH4.CH2.V/c1-10-7-12-13(8-14(10)19-20)16-9-17-15(12)18-11-5-3-2-4-6-11;1-2;;;/h2-9H,20H2,1H3,(H,16,17,18);1-2H3;1H4;1H2;.
What are the key properties of ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine?
ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine has a molecular weight of 394.36 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methylidenevanadium;6-methyl-N-phenyl-7-phosphanyloxyquinazolin-4-amine is sourced from PubChem (CID 161379653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).