8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

About 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505633) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name	8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID	136505633
Molecular Formula	C27H35N5O4
Molecular Weight	493.61 g/mol
Exact Mass	493.27
IUPAC Name	8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILES	Cc1cc2[nH]c(=O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCN(CCOCC2CC2)[C@@H](C)C1
InChI	InChI=1S/C27H35N5O4/c1-17-11-24-22(25-23(26(33)29-24)13-28-32(25)20-5-9-35-16-20)12-21(17)27(34)31-7-6-30(18(2)14-31)8-10-36-15-19-3-4-19/h11-13,18-20H,3-10,14-16H2,1-2H3,(H,29,33)/t18-,20-/m0/s1
InChIKey	QXLDIQXMVRKCKK-ICSRJNTNSA-N
XLogP	2.72
TPSA	92.69 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?

The IUPAC name of 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505633) is 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.

What is the SMILES notation for 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?

The canonical SMILES for 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCN(CCOCC2CC2)[C@@H](C)C1.

What is the InChIKey of 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?

The InChIKey is QXLDIQXMVRKCKK-ICSRJNTNSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-17-11-24-22(25-23(26(33)29-24)13-28-32(25)20-5-9-35-16-20)12-21(17)27(34)31-7-6-30(18(2)14-31)8-10-36-15-19-3-4-19/h11-13,18-20H,3-10,14-16H2,1-2H3,(H,29,33)/t18-,20-/m0/s1.

What are the key properties of 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?

8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 493.61 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).