N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide

C25H27N7O4 — CID 155542658

IUPACN-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2cc(OCCN(c3ncc(C(=O)NO)cn3)C(C)C)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C25H27N7O4/c1-15(2)32(25-27-12-19(13-28-25)24(33)31-34)7-8-36-21-10-18(17-5-6-22(35-4)26-11-17)9-20-16(3)29-14-30-23(20)21/h5-6,9-15,34H,7-8H2,1-4H3,(H,31,33)
InChIKeyMKBSSERECOKTHX-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.21
Rot. Bonds9

About N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide

N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide (PubChem CID 155542658) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide
PubChem CID155542658
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC NameN-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2cc(OCCN(c3ncc(C(=O)NO)cn3)C(C)C)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C25H27N7O4/c1-15(2)32(25-27-12-19(13-28-25)24(33)31-34)7-8-36-21-10-18(17-5-6-22(35-4)26-11-17)9-20-16(3)29-14-30-23(20)21/h5-6,9-15,34H,7-8H2,1-4H3,(H,31,33)
InChIKeyMKBSSERECOKTHX-UHFFFAOYSA-N
XLogP3.21
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 155567228
N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide
CID 170554620
tert-butyl N-[2-[[4-[3-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxypropyl]benzoyl]amino]phenyl]carbamate
CID 170554521
ethane;N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 145172448
sodium;hydride;N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 173472753
[4-[butanoyl-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyamino]phenyl]carbamic acid
CID 175518875
6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline
CID 155354002
3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
CID 126763482
methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
CID 18617593
N-hydroxy-2-[[4-(6-methoxy-3-pyridinyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89412972
2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
CID 155340172
[5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate
CID 70516529

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide (CID 155542658) is N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide is COc1ccc(-c2cc(OCCN(c3ncc(C(=O)NO)cn3)C(C)C)c3ncnc(C)c3c2)cn1.
What is the InChIKey of N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide?
The InChIKey is MKBSSERECOKTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-15(2)32(25-27-12-19(13-28-25)24(33)31-34)7-8-36-21-10-18(17-5-6-22(35-4)26-11-17)9-20-16(3)29-14-30-23(20)21/h5-6,9-15,34H,7-8H2,1-4H3,(H,31,33).
What are the key properties of N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide?
N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl-propan-2-ylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155542658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).