N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide

C22H23ClN4O3 — CID 138512888

IUPACN-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1
InChIInChI=1S/C22H23ClN4O3/c23-17-6-7-18-19(12-17)25-15-27(20(18)28)14-22(30)8-10-26(11-9-22)21(29)24-13-16-4-2-1-3-5-16/h1-7,12,15,30H,8-11,13-14H2,(H,24,29)
InChIKeySRYDKKUVFFSPTA-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.79
Rot. Bonds4

About N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide

N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 138512888) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID138512888
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1
InChIInChI=1S/C22H23ClN4O3/c23-17-6-7-18-19(12-17)25-15-27(20(18)28)14-22(30)8-10-26(11-9-22)21(29)24-13-16-4-2-1-3-5-16/h1-7,12,15,30H,8-11,13-14H2,(H,24,29)
InChIKeySRYDKKUVFFSPTA-UHFFFAOYSA-N
XLogP2.79
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide (CID 138512888) is N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1.
What is the InChIKey of N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is SRYDKKUVFFSPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-17-6-7-18-19(12-17)25-15-27(20(18)28)14-22(30)8-10-26(11-9-22)21(29)24-13-16-4-2-1-3-5-16/h1-7,12,15,30H,8-11,13-14H2,(H,24,29).
What are the key properties of N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 138512888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).