N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine

C19H13N5O3 — CID 7272693

IUPACN-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
SMILESO=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3ncnc4ccccc34)o2)c1
InChIInChI=1S/C19H13N5O3/c25-24(26)14-5-3-4-13(10-14)18-9-8-15(27-18)11-22-23-19-16-6-1-2-7-17(16)20-12-21-19/h1-12H,(H,20,21,23)/b22-11-
InChIKeyCQDPTLHAOWWUCF-JJFYIABZSA-N
MW359.35 g/mol
LogP4.24
Rot. Bonds5

About N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine

N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine (PubChem CID 7272693) has the molecular formula C19H13N5O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
PubChem CID7272693
Molecular FormulaC19H13N5O3
Molecular Weight359.35 g/mol
Exact Mass359.10
IUPAC NameN-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
SMILESO=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3ncnc4ccccc34)o2)c1
InChIInChI=1S/C19H13N5O3/c25-24(26)14-5-3-4-13(10-14)18-9-8-15(27-18)11-22-23-19-16-6-1-2-7-17(16)20-12-21-19/h1-12H,(H,20,21,23)/b22-11-
InChIKeyCQDPTLHAOWWUCF-JJFYIABZSA-N
XLogP4.24
TPSA106.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 71966888
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208899
3-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine;hydrochloride
CID 18529853
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine
CID 44715002
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 831247
N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 5193732
[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 691890
N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
CID 2789328
1-[5-(3-nitrophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 3834790
4,6-dimorpholin-4-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
CID 6244076
2-(4-bromonaphthalen-1-yl)-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3520761
N-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 5166577

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine?
The IUPAC name of N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine (CID 7272693) is N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine.
What is the SMILES notation for N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine?
The canonical SMILES for N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine is O=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3ncnc4ccccc34)o2)c1.
What is the InChIKey of N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine?
The InChIKey is CQDPTLHAOWWUCF-JJFYIABZSA-N. The full InChI is InChI=1S/C19H13N5O3/c25-24(26)14-5-3-4-13(10-14)18-9-8-15(27-18)11-22-23-19-16-6-1-2-7-17(16)20-12-21-19/h1-12H,(H,20,21,23)/b22-11-.
What are the key properties of N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine?
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine has a molecular weight of 359.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine is sourced from PubChem (CID 7272693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).