N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide

C25H17N3O3 — CID 2311822

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide
SMILES[H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C25H17N3O3/c26-24-20(13-19-17-7-3-1-6-16(17)10-12-23(19)31-24)25(30)28-27-14-21-18-8-4-2-5-15(18)9-11-22(21)29/h1-14,26,29H,(H,28,30)/b26-24-,27-14?
InChIKeyITOZLDQKAUADAN-DKWVWRBDSA-N
MW407.43 g/mol
LogP4.69
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide (PubChem CID 2311822) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide
PubChem CID2311822
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide
SMILES[H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C25H17N3O3/c26-24-20(13-19-17-7-3-1-6-16(17)10-12-23(19)31-24)25(30)28-27-14-21-18-8-4-2-5-15(18)9-11-22(21)29/h1-14,26,29H,(H,28,30)/b26-24-,27-14?
InChIKeyITOZLDQKAUADAN-DKWVWRBDSA-N
XLogP4.69
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide
CID 5453496
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide
CID 177386306
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 135608103
3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide
CID 19573949
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide (CID 2311822) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide is [H]/N=c1\oc2ccc3ccccc3c2cc1C(=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide?
The InChIKey is ITOZLDQKAUADAN-DKWVWRBDSA-N. The full InChI is InChI=1S/C25H17N3O3/c26-24-20(13-19-17-7-3-1-6-16(17)10-12-23(19)31-24)25(30)28-27-14-21-18-8-4-2-5-15(18)9-11-22(21)29/h1-14,26,29H,(H,28,30)/b26-24-,27-14?.
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 4.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 2311822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).