N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide

C28H34N6O4 — CID 130221335

IUPACN-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCCN(C(=O)Nc3ccc4c(c3)c(=O)n(CC3CC3)c(=O)n4C(C)C)C2)n1
InChIInChI=1S/C28H34N6O4/c1-17(2)34-24-12-11-20(14-22(24)26(36)33(28(34)38)15-19-9-10-19)31-27(37)32-13-5-7-21(16-32)30-25(35)23-8-4-6-18(3)29-23/h4,6,8,11-12,14,17,19,21H,5,7,9-10,13,15-16H2,1-3H3,(H,30,35)(H,31,37)
InChIKeyRQEACFIYXCPPIH-UHFFFAOYSA-N
MW518.62 g/mol
LogP3.28
Rot. Bonds6

About N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide

N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide (PubChem CID 130221335) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide
PubChem CID130221335
Molecular FormulaC28H34N6O4
Molecular Weight518.62 g/mol
Exact Mass518.26
IUPAC NameN-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCCN(C(=O)Nc3ccc4c(c3)c(=O)n(CC3CC3)c(=O)n4C(C)C)C2)n1
InChIInChI=1S/C28H34N6O4/c1-17(2)34-24-12-11-20(14-22(24)26(36)33(28(34)38)15-19-9-10-19)31-27(37)32-13-5-7-21(16-32)30-25(35)23-8-4-6-18(3)29-23/h4,6,8,11-12,14,17,19,21H,5,7,9-10,13,15-16H2,1-3H3,(H,30,35)(H,31,37)
InChIKeyRQEACFIYXCPPIH-UHFFFAOYSA-N
XLogP3.28
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide (CID 130221335) is N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC2CCCN(C(=O)Nc3ccc4c(c3)c(=O)n(CC3CC3)c(=O)n4C(C)C)C2)n1.
What is the InChIKey of N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is RQEACFIYXCPPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4/c1-17(2)34-24-12-11-20(14-22(24)26(36)33(28(34)38)15-19-9-10-19)31-27(37)32-13-5-7-21(16-32)30-25(35)23-8-4-6-18(3)29-23/h4,6,8,11-12,14,17,19,21H,5,7,9-10,13,15-16H2,1-3H3,(H,30,35)(H,31,37).
What are the key properties of N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide?
N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 130221335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).