7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione

C19H21N5O3 — CID 162647535

IUPAC7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione
SMILESCN1CCN(c2ccc(NC3C(=O)c4cncnc4C(=O)C3O)cc2)CC1
InChIInChI=1S/C19H21N5O3/c1-23-6-8-24(9-7-23)13-4-2-12(3-5-13)22-16-17(25)14-10-20-11-21-15(14)18(26)19(16)27/h2-5,10-11,16,19,22,27H,6-9H2,1H3
InChIKeyPQHLDZPMNDZCQW-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.45
Rot. Bonds3

About 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione

7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione (PubChem CID 162647535) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione.

Molecular Properties

Compound Name7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione
PubChem CID162647535
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione
SMILESCN1CCN(c2ccc(NC3C(=O)c4cncnc4C(=O)C3O)cc2)CC1
InChIInChI=1S/C19H21N5O3/c1-23-6-8-24(9-7-23)13-4-2-12(3-5-13)22-16-17(25)14-10-20-11-21-15(14)18(26)19(16)27/h2-5,10-11,16,19,22,27H,6-9H2,1H3
InChIKeyPQHLDZPMNDZCQW-UHFFFAOYSA-N
XLogP0.45
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-(3,5-dihydroxy-4-methylpiperazin-1-yl)anilino]quinazoline-5,8-dione
CID 162645436
5-bromo-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrimidin-6-one
CID 71143055
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine
CID 141282705
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781
2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110684204
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
6-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 150957046
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione?
The IUPAC name of 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione (CID 162647535) is 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione.
What is the SMILES notation for 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione?
The canonical SMILES for 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione is CN1CCN(c2ccc(NC3C(=O)c4cncnc4C(=O)C3O)cc2)CC1.
What is the InChIKey of 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione?
The InChIKey is PQHLDZPMNDZCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23-6-8-24(9-7-23)13-4-2-12(3-5-13)22-16-17(25)14-10-20-11-21-15(14)18(26)19(16)27/h2-5,10-11,16,19,22,27H,6-9H2,1H3.
What are the key properties of 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione?
7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione has a molecular weight of 367.41 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydroquinazoline-5,8-dione is sourced from PubChem (CID 162647535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).