(NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine

C20H19N3O3 — CID 52932461

IUPAC(NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESCOCCCc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1
InChIInChI=1S/C20H19N3O3/c1-25-9-3-4-14-6-7-19-16(10-14)17(22-24)12-20(26-19)18-11-15-5-2-8-23(15)13-21-18/h2,5-8,10-13,24H,3-4,9H2,1H3/b22-17-
InChIKeyUXOSPXLXVBGZBD-XLNRJJMWSA-N
MW349.39 g/mol
LogP3.62
Rot. Bonds5

About (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine

(NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (PubChem CID 52932461) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
PubChem CID52932461
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESCOCCCc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1
InChIInChI=1S/C20H19N3O3/c1-25-9-3-4-14-6-7-19-16(10-14)17(22-24)12-20(26-19)18-11-15-5-2-8-23(15)13-21-18/h2,5-8,10-13,24H,3-4,9H2,1H3/b22-17-
InChIKeyUXOSPXLXVBGZBD-XLNRJJMWSA-N
XLogP3.62
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (CID 52932461) is (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is COCCCc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1.
What is the InChIKey of (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The InChIKey is UXOSPXLXVBGZBD-XLNRJJMWSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-9-3-4-14-6-7-19-16(10-14)17(22-24)12-20(26-19)18-11-15-5-2-8-23(15)13-21-18/h2,5-8,10-13,24H,3-4,9H2,1H3/b22-17-.
What are the key properties of (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
(NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine has a molecular weight of 349.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-(3-methoxypropyl)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 52932461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).