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

C23H24N4O3 — CID 52932528

IUPAC(NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESCC1CCCN1CCOc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1
InChIInChI=1S/C23H24N4O3/c1-16-4-2-8-26(16)10-11-29-18-6-7-22-19(13-18)20(25-28)14-23(30-22)21-12-17-5-3-9-27(17)15-24-21/h3,5-7,9,12-16,28H,2,4,8,10-11H2,1H3/b25-20-
InChIKeyUXGCJLHVUPKGDF-QQTULTPQSA-N
MW404.47 g/mol
LogP3.90
Rot. Bonds5

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

(NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (PubChem CID 52932528) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
PubChem CID52932528
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
SMILESCC1CCCN1CCOc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1
InChIInChI=1S/C23H24N4O3/c1-16-4-2-8-26(16)10-11-29-18-6-7-22-19(13-18)20(25-28)14-23(30-22)21-12-17-5-3-9-27(17)15-24-21/h3,5-7,9,12-16,28H,2,4,8,10-11H2,1H3/b25-20-
InChIKeyUXGCJLHVUPKGDF-QQTULTPQSA-N
XLogP3.90
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine (CID 52932528) is (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is CC1CCCN1CCOc1ccc2oc(-c3cc4cccn4cn3)c/c(=N/O)c2c1.
What is the InChIKey of (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
The InChIKey is UXGCJLHVUPKGDF-QQTULTPQSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-4-2-8-26(16)10-11-29-18-6-7-22-19(13-18)20(25-28)14-23(30-22)21-12-17-5-3-9-27(17)15-24-21/h3,5-7,9,12-16,28H,2,4,8,10-11H2,1H3/b25-20-.
What are the key properties of (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine?
(NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine has a molecular weight of 404.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-[2-(2-methylpyrrolidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 52932528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).