(NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride

C22H23ClN4O4 — CID 172948075

IUPAC(NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride
SMILESCl.O/N=c1/cc(-c2cc3cccn3cn2)oc2cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C22H22N4O4.ClH/c27-24-19-14-22(20-12-16-2-1-5-26(16)15-23-20)30-21-13-17(3-4-18(19)21)29-11-8-25-6-9-28-10-7-25;/h1-5,12-15,27H,6-11H2;1H/b24-19-;
InChIKeyKWAUXFPNOKVNFE-BMGIYVBOSA-N
MW442.90 g/mol
LogP3.17
Rot. Bonds5

About (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride

(NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride (PubChem CID 172948075) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride
PubChem CID172948075
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC Name(NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride
SMILESCl.O/N=c1/cc(-c2cc3cccn3cn2)oc2cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C22H22N4O4.ClH/c27-24-19-14-22(20-12-16-2-1-5-26(16)15-23-20)30-21-13-17(3-4-18(19)21)29-11-8-25-6-9-28-10-7-25;/h1-5,12-15,27H,6-11H2;1H/b24-19-;
InChIKeyKWAUXFPNOKVNFE-BMGIYVBOSA-N
XLogP3.17
TPSA84.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride?
The IUPAC name of (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride (CID 172948075) is (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride?
The canonical SMILES for (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride is Cl.O/N=c1/cc(-c2cc3cccn3cn2)oc2cc(OCCN3CCOCC3)ccc12.
What is the InChIKey of (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride?
The InChIKey is KWAUXFPNOKVNFE-BMGIYVBOSA-N. The full InChI is InChI=1S/C22H22N4O4.ClH/c27-24-19-14-22(20-12-16-2-1-5-26(16)15-23-20)30-21-13-17(3-4-18(19)21)29-11-8-25-6-9-28-10-7-25;/h1-5,12-15,27H,6-11H2;1H/b24-19-;.
What are the key properties of (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride?
(NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride has a molecular weight of 442.90 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[7-(2-morpholin-4-ylethoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 172948075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).