N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C19H28N6O3 — CID 87263921

IUPACN-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(N(C)C)nc2ccccc12
InChIInChI=1S/C19H28N6O3/c1-4-5-6-9-14(12-25(28)13-26)18(27)23-22-17-15-10-7-8-11-16(15)20-19(21-17)24(2)3/h7-8,10-11,13-14,28H,4-6,9,12H2,1-3H3,(H,23,27)(H,20,21,22)
InChIKeyKFSVDJAQPWCIRM-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.18
Rot. Bonds11

About N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87263921) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87263921
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC NameN-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(N(C)C)nc2ccccc12
InChIInChI=1S/C19H28N6O3/c1-4-5-6-9-14(12-25(28)13-26)18(27)23-22-17-15-10-7-8-11-16(15)20-19(21-17)24(2)3/h7-8,10-11,13-14,28H,4-6,9,12H2,1-3H3,(H,23,27)(H,20,21,22)
InChIKeyKFSVDJAQPWCIRM-UHFFFAOYSA-N
XLogP2.18
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722
N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 87264196
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-hydroxy-N-[(2R)-2-[[(6-pyrrol-1-ylpyridazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 10316477
N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264099
N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264654
N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide
CID 87928335
N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide
CID 143005417
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87263921) is N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1nc(N(C)C)nc2ccccc12.
What is the InChIKey of N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is KFSVDJAQPWCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-4-5-6-9-14(12-25(28)13-26)18(27)23-22-17-15-10-7-8-11-16(15)20-19(21-17)24(2)3/h7-8,10-11,13-14,28H,4-6,9,12H2,1-3H3,(H,23,27)(H,20,21,22).
What are the key properties of N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 388.47 g/mol, XLogP of 2.18, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87263921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).