N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide

C23H33N3O5 — CID 22588192

IUPACN-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCOc1cc2[nH]c(=O)n(CCCC(=O)NC3CCCCCC3)c(=O)c2cc1OCC
InChIInChI=1S/C23H33N3O5/c1-3-30-19-14-17-18(15-20(19)31-4-2)25-23(29)26(22(17)28)13-9-12-21(27)24-16-10-7-5-6-8-11-16/h14-16H,3-13H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyKVNOZFLEWAVBCJ-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.11
Rot. Bonds9

About N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide

N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 22588192) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID22588192
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC NameN-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCOc1cc2[nH]c(=O)n(CCCC(=O)NC3CCCCCC3)c(=O)c2cc1OCC
InChIInChI=1S/C23H33N3O5/c1-3-30-19-14-17-18(15-20(19)31-4-2)25-23(29)26(22(17)28)13-9-12-21(27)24-16-10-7-5-6-8-11-16/h14-16H,3-13H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyKVNOZFLEWAVBCJ-UHFFFAOYSA-N
XLogP3.11
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 22588192) is N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide is CCOc1cc2[nH]c(=O)n(CCCC(=O)NC3CCCCCC3)c(=O)c2cc1OCC.
What is the InChIKey of N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is KVNOZFLEWAVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-3-30-19-14-17-18(15-20(19)31-4-2)25-23(29)26(22(17)28)13-9-12-21(27)24-16-10-7-5-6-8-11-16/h14-16H,3-13H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide?
N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide has a molecular weight of 431.53 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 22588192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).