N-hydroxy-7-(quinazolin-4-ylamino)heptanamide

C15H20N4O2 — CID 72545432

IUPACN-hydroxy-7-(quinazolin-4-ylamino)heptanamide
SMILESO=C(CCCCCCNc1ncnc2ccccc12)NO
InChIInChI=1S/C15H20N4O2/c20-14(19-21)9-3-1-2-6-10-16-15-12-7-4-5-8-13(12)17-11-18-15/h4-5,7-8,11,21H,1-3,6,9-10H2,(H,19,20)(H,16,17,18)
InChIKeyYWZYMLJPLYZVDO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.50
Rot. Bonds8

About N-hydroxy-7-(quinazolin-4-ylamino)heptanamide

N-hydroxy-7-(quinazolin-4-ylamino)heptanamide (PubChem CID 72545432) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-hydroxy-7-(quinazolin-4-ylamino)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(quinazolin-4-ylamino)heptanamide
PubChem CID72545432
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-hydroxy-7-(quinazolin-4-ylamino)heptanamide
SMILESO=C(CCCCCCNc1ncnc2ccccc12)NO
InChIInChI=1S/C15H20N4O2/c20-14(19-21)9-3-1-2-6-10-16-15-12-7-4-5-8-13(12)17-11-18-15/h4-5,7-8,11,21H,1-3,6,9-10H2,(H,19,20)(H,16,17,18)
InChIKeyYWZYMLJPLYZVDO-UHFFFAOYSA-N
XLogP2.50
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
N-Benzylquinazolin-4-amine
CID 616573
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
N-Cyclohexylquinazolin-4-amine
CID 13231190
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
KF 15232
CID 130152
N-methylquinazolin-4-amine
CID 252220
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
N-(3-phenylpropyl)quinazolin-4-amine
CID 44288306
(Quinazolin-4-ylamino)acetic acid
CID 718838
4-N-benzylquinazoline-4,6-diamine
CID 5328028

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-(quinazolin-4-ylamino)heptanamide?
The IUPAC name of N-hydroxy-7-(quinazolin-4-ylamino)heptanamide (CID 72545432) is N-hydroxy-7-(quinazolin-4-ylamino)heptanamide.
What is the SMILES notation for N-hydroxy-7-(quinazolin-4-ylamino)heptanamide?
The canonical SMILES for N-hydroxy-7-(quinazolin-4-ylamino)heptanamide is O=C(CCCCCCNc1ncnc2ccccc12)NO.
What is the InChIKey of N-hydroxy-7-(quinazolin-4-ylamino)heptanamide?
The InChIKey is YWZYMLJPLYZVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-14(19-21)9-3-1-2-6-10-16-15-12-7-4-5-8-13(12)17-11-18-15/h4-5,7-8,11,21H,1-3,6,9-10H2,(H,19,20)(H,16,17,18).
What are the key properties of N-hydroxy-7-(quinazolin-4-ylamino)heptanamide?
N-hydroxy-7-(quinazolin-4-ylamino)heptanamide has a molecular weight of 288.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(quinazolin-4-ylamino)heptanamide is sourced from PubChem (CID 72545432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).