N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide

C20H30N4O2 — CID 72880841

IUPACN-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CN(c2nc(C)c3c(n2)CCCC3)C[C@@H]1C1CC1
InChIInChI=1S/C20H30N4O2/c1-13-15-5-3-4-6-17(15)23-20(21-13)24-11-16(14-7-8-14)18(12-24)22-19(25)9-10-26-2/h14,16,18H,3-12H2,1-2H3,(H,22,25)/t16-,18+/m1/s1
InChIKeyVMJULCPFAGCRPS-AEFFLSMTSA-N
MW358.49 g/mol
LogP2.03
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide

N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 72880841) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID72880841
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CN(c2nc(C)c3c(n2)CCCC3)C[C@@H]1C1CC1
InChIInChI=1S/C20H30N4O2/c1-13-15-5-3-4-6-17(15)23-20(21-13)24-11-16(14-7-8-14)18(12-24)22-19(25)9-10-26-2/h14,16,18H,3-12H2,1-2H3,(H,22,25)/t16-,18+/m1/s1
InChIKeyVMJULCPFAGCRPS-AEFFLSMTSA-N
XLogP2.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide (CID 72880841) is N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide is COCCC(=O)N[C@H]1CN(c2nc(C)c3c(n2)CCCC3)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is VMJULCPFAGCRPS-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13-15-5-3-4-6-17(15)23-20(21-13)24-11-16(14-7-8-14)18(12-24)22-19(25)9-10-26-2/h14,16,18H,3-12H2,1-2H3,(H,22,25)/t16-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide?
N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 358.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 72880841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).