(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine

C20H25N5O2 — CID 131741428

IUPAC(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine
SMILESCO/N=C(/C)c1cccc(CCCON=C2CCCc3cnc(C)nc32)n1
InChIInChI=1S/C20H25N5O2/c1-14(24-26-3)18-10-5-8-17(23-18)9-6-12-27-25-19-11-4-7-16-13-21-15(2)22-20(16)19/h5,8,10,13H,4,6-7,9,11-12H2,1-3H3/b24-14-,25-19?
InChIKeyYJJFZPIYFSQBBB-UQUPYHLVSA-N
MW367.45 g/mol
LogP3.24
Rot. Bonds7

About (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine

(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine (PubChem CID 131741428) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine.

Molecular Properties

Compound Name(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine
PubChem CID131741428
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine
SMILESCO/N=C(/C)c1cccc(CCCON=C2CCCc3cnc(C)nc32)n1
InChIInChI=1S/C20H25N5O2/c1-14(24-26-3)18-10-5-8-17(23-18)9-6-12-27-25-19-11-4-7-16-13-21-15(2)22-20(16)19/h5,8,10,13H,4,6-7,9,11-12H2,1-3H3/b24-14-,25-19?
InChIKeyYJJFZPIYFSQBBB-UQUPYHLVSA-N
XLogP3.24
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine
CID 87171823
(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine
CID 89419481
N-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123636438
N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine
CID 123991363
6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
CID 88584214
2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
CID 123415980
1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
CID 123612399
(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
CID 87171782
N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123248011
(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
CID 89419496
(E)-4-methoxy-N-[3-[(8E)-8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl]propoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 71744520
(E)-N-methoxy-1-[6-[3-[(E)-1-[6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-2-pyridinyl]ethylideneamino]oxypropyl]-2-pyridinyl]ethanimine
CID 88584079

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine?
The IUPAC name of (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine (CID 131741428) is (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine.
What is the SMILES notation for (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine?
The canonical SMILES for (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine is CO/N=C(/C)c1cccc(CCCON=C2CCCc3cnc(C)nc32)n1.
What is the InChIKey of (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine?
The InChIKey is YJJFZPIYFSQBBB-UQUPYHLVSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(24-26-3)18-10-5-8-17(23-18)9-6-12-27-25-19-11-4-7-16-13-21-15(2)22-20(16)19/h5,8,10,13H,4,6-7,9,11-12H2,1-3H3/b24-14-,25-19?.
What are the key properties of (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine?
(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine has a molecular weight of 367.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine is sourced from PubChem (CID 131741428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).