2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide

C23H22FN7O4 — CID 155523062

IUPAC2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCOc1ncc(-c2cc(OCCCNc3ncc(C(=O)NO)cn3)c3ncnc(C)c3c2)cc1F
InChIInChI=1S/C23H22FN7O4/c1-13-17-6-14(15-7-18(24)22(34-2)26-9-15)8-19(20(17)30-12-29-13)35-5-3-4-25-23-27-10-16(11-28-23)21(32)31-33/h6-12,33H,3-5H2,1-2H3,(H,31,32)(H,25,27,28)
InChIKeyUGRBZFIRSKXWCF-UHFFFAOYSA-N
MW479.47 g/mol
LogP2.94
Rot. Bonds9

About 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide

2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 155523062) has the molecular formula C23H22FN7O4 and a molecular weight of 479.47 g/mol. Its IUPAC name is 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID155523062
Molecular FormulaC23H22FN7O4
Molecular Weight479.47 g/mol
Exact Mass479.17
IUPAC Name2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCOc1ncc(-c2cc(OCCCNc3ncc(C(=O)NO)cn3)c3ncnc(C)c3c2)cc1F
InChIInChI=1S/C23H22FN7O4/c1-13-17-6-14(15-7-18(24)22(34-2)26-9-15)8-19(20(17)30-12-29-13)35-5-3-4-25-23-27-10-16(11-28-23)21(32)31-33/h6-12,33H,3-5H2,1-2H3,(H,31,32)(H,25,27,28)
InChIKeyUGRBZFIRSKXWCF-UHFFFAOYSA-N
XLogP2.94
TPSA144.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]pyrimidine-5-carboxylate
CID 155666421
N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide
CID 155542658
ethyl 2-[3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxypropyl-methylamino]pyrimidine-5-carboxylate
CID 155666422
N-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methylquinazolin-8-yl]phenyl]-2-hydroxy-2-methylpropanamide
CID 176898167
N-(2-aminophenyl)-7-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxyheptanamide
CID 169494474
N-(2-aminophenyl)-6-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxyhexanamide
CID 170554560
8-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethoxy]-6-[5-(2,4-difluoro-N-sulfinoanilino)-6-methoxy-3-pyridinyl]-4-methylquinazoline
CID 175518847
[2-[9-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxynonanoylamino]phenyl] carbamate
CID 175518851
[2-[6-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxyhexanoylamino]phenyl] carbamate
CID 175518840
N-[5-[8-(difluoromethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197573
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252020

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide (CID 155523062) is 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide is COc1ncc(-c2cc(OCCCNc3ncc(C(=O)NO)cn3)c3ncnc(C)c3c2)cc1F.
What is the InChIKey of 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is UGRBZFIRSKXWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O4/c1-13-17-6-14(15-7-18(24)22(34-2)26-9-15)8-19(20(17)30-12-29-13)35-5-3-4-25-23-27-10-16(11-28-23)21(32)31-33/h6-12,33H,3-5H2,1-2H3,(H,31,32)(H,25,27,28).
What are the key properties of 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 479.47 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 155523062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).